Compound: MANDELIC ACID
SMILES: O=C(O)C(O)c1ccccc1
InChIKey: IWYDHOAUDWTVEP-UHFFFAOYSA-N
Synonyms: MANDELIC ACID, dl-Mandelic acid, 2-hydroxy-2-phenylacetic acid, 90-64-2, Phenylglycolic acid, Paramandelic acid, Amygdalic acid, Uromaline, Racemic mandelic acid, Phenylhydroxyacetic acid, (RS)-Mandelic acid, alpha-Hydroxyphenylacetic acid, Acido mandelico, Kyselina mandlova, Benzeneacetic acid, alpha-hydroxy-, alpha-Hydroxybenzeneacetic acid, NSC-7925, NH496X0UJX, DTXSID6023234, CHEBI:35825, RefChem:5982, DTXCID203234, 202-007-6, 611-72-3, Almond acid, 2-Phenylglycolic acid, p-Mandelic acid, Hydroxy(phenyl)acetic acid, (+/-)-alpha-Hydroxyphenylacetic acid, Glycolic acid, phenyl-, 2-Phenyl-2-hydroxyacetic acid, 2-hydroxy-2-phenyl-acetic acid, DL-Hydroxy(phenyl)acetic acid, (+/-)-mandelic acid, Pregabalin EP Impurity C, NSC 7925, Benzeneacetic acid, .alpha.-hydroxy-, DL-Amygdalic Acid, .alpha.-Hydroxyphenylacetic acid, alpha-Hydroxy-alpha-toluic acid, Kyselina 2-fenyl-2-hydroxyethanova, (+-)-alpha-Hydroxybenzeneacetic acid, .alpha.-Hydroxy-.alpha.-toluic acid, MFCD00064250, .alpha.-Toluic acid, .alpha.-hydroxy-, (+)-Mandelate, XXI, (+-)-Mandelic acid, Benzeneacetic acid, .alpha.-hydroxy-, (.+/-.)-, mandelic-acid, 2-Hydroy-2-phenylacetic acid, Mandelic acid [USP], DL-Mandelicacid, Acido mandelico [Italian], Kyselina mandlova [Czech], 32518-00-6, (+-)-2-Hydroxy-2-phenylethanoic acid, alpha-Toluic acid, alpha-hydroxy-, DL-2-Hydroxy-2-phenylacetic acid, 81432-25-9, (+-)-alpha-Hydroxyphenylacetic acid, EINECS 202-007-6, EINECS 210-277-1, UNII-NH496X0UJX, 2-Hydroxy-2-phenylethanoic acid, alpha-Hydroxybenzeneacetic acid, (+-)-, AI3-06293, Kyselina 2-fenyl-2-hydroxyethanova [Czech], Benzoglycolic acid, Phenylacetic acid, alpha-hydroxy-, NCGC00166022-01, l(+)mandelic acid, (+) mandelic acid, (+)-mandelic acid, SAMMA, hyroxyphenylacetic acid, (+/-)-alpha-Hydroxybenzeneacetic acid, l (+)-mandelic acid, Mandelic acid, 99%, (-)-Mandelate, XX, hydroxyphenyl acetic acid, Benzeneacetic acid, .alpha.-hydroxy-, (.alpha.R)-, Mandelic acid (Standard), WLN: QYR&VQ, hydroxy-phenyl-acetic acid, Mandelic acid, >=99%, DL-Mandelic acid, 99%, MANDELIC ACID [MI], SCHEMBL1050, (.+/-.)-Mandelic acid, CHEMBL1609, 2-Hydroxy-2-phenylaceticacid, MLS001074208, SCHEMBL182527, MANDELIC ACID [MART.], orb1302515, orb3139825, SCHEMBL6966223, MANDELIC ACID [USP-RS], MANDELIC ACID [WHO-DD], .alpha.-Phenylhydroxyacetic acid, SCHEMBL17140887, SCHEMBL27903411, BDBM92715, NSC7925, HMS2230F19, HMS3371M20, HMS3373A03, HMS5086C15, acetic acid, 2-hydroxy-2-phenyl-, (2rs)-hydroxy(phenyl)ethanoic acid, HY-W015591R, VCA83871, BBL028097, EBC-26103, s3363, SBB007730, STL283951, AKOS000118795, AKOS016050628, CS-W016307, DB13218, FM03657, HY-W015591, KS-1423, MSK70025-1000W, NCGC00166023-01, NCGC00166269-01, (.+/-.)-alpha-Hydroxybenzeneacetic acid, AC-12228, SMR000653543, DB-016128, DB-016158, DS-000887, M0038, NS00001311, Benzeneacetic acid, .alpha.-hydroxy-, ( )-, Benzeneacetic acid, .alpha.-hydroxy-, (S)-, EN300-19482, Mandelic acid Solution in Water, 1000ug/mL, PHENYLACETIC ACID, .ALPHA.--HYDROXY-, DL-Mandelic acid, analytical reference material, H55120, MLS-0090887.0001, AE-562/40233036, DL-Mandelic Acid(Discontinued,See C4X-131277), F093723, Q412293, (2RS)-2-Hydroxy-2-phenylacetic Acid (Mandelic Acid), BRD-A91448670-001-06-4, GLYCOPYRRONIUM BROMIDE IMPURITY C [EP IMPURITY], Mandelic Acid ((2RS)-2-Hydroxy-2-phenylacetic Acid), 14A53E4A-8315-42A7-9D60-DE06CCBB1AF9, F2191-0202, HOMATROPINE HYDROBROMIDE IMPURITY C [EP IMPURITY], Z104473974, HOMATROPINE METHYLBROMIDE IMPURITY C [EP IMPURITY], Pregabalin EP Impurity C(Glycopyrronium Bromide EP Impurity C), Mandelic acid, United States Pharmacopeia (USP) Reference Standard, D-2-Hydroxy-2-phenylacetic acid; (S)-(+)-alpha-Hydroxyphenylacetic acid, a-Hydroxy-benzeneacetic acid; Hydroxy(phenyl)acetic acid; 2-Phenylglycolic acid; 2-Hydroxy-2-phenylacetic acid; alpha-Hydroxyphenylacetic acid;R(-)-Mandelic acid, Pregabalin EP Impurity C; Glycopyrronium Bromide EP Impurity C; Homatropine Hydrobromide EP Impurity C
Theoretical properties:
molecular_formula: C8H8O3
molecular_weight: 152.15 g/mol
exact_mass: 152.047344113 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 11
topological_polar_surface_area: 57.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
vapor_pressure: 0.0000164 [mmHg]
Descriptions:
pubchem: Mandelic acid is a 2-hydroxy monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are substituted by phenyl and hydroxyl groups. It has a role as an antibacterial agent and a human xenobiotic metabolite. It is a member of benzenes and a 2-hydroxy monocarboxylic acid. It is functionally related to an acetic acid. It is a conjugate acid of a mandelate.
chebi: A 2-hydroxy monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are substituted by phenyl and hydroxyl groups.
chembl: MANDELIC ACID is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Mandelic acid is an aromatic alpha hydroxy acid (AHA) with the molecular formula C6H5CH(OH)CO2H. It is a white crystalline solid that is soluble in water and polar organic solvents. Its principal use in organic synthesis is as a useful precursor to various drugs.