Compound: TROPIC ACID
SMILES: O=C(O)C(c1ccccc1)CO
InChIKey: JACRWUWPXAESPB-UHFFFAOYSA-N
Synonyms: TROPIC ACID, dl-Tropic acid, 552-63-6, 3-hydroxy-2-phenylpropanoic acid, 3-Hydroxy-2-phenylpropionic acid, 2-Phenylhydracrylic acid, alpha-(Hydroxymethyl)benzeneacetic acid, (+-)-tropic acid, Hydracrylic acid, 2-phenyl-, beta-hydroxyhydratropic acid, MFCD00004255, alpha-(Hydroxymethyl)phenylacetic acid, Hydratropic acid, beta-hydroxy-, (+/-)-Tropic acid, 3-hydroxy-2-phenyl-propanoic acid, Tropicacid, alpha-Phenyl-beta-hydroxypropionic acid, alpha-Toluic acid, alpha-(hydroxymethyl)-, Benzeneacetic acid, alpha-(hydroxymethyl)-, 28845-94-5, Benzeneacetic acid, .alpha.-(hydroxymethyl)-, Hydratropic acid, .beta.-hydroxy-, (1)-(Hydroxymethyl)phenylacetic acid, NSC-20990, 9RM4U80765, (+/-)-2-Phenyl-3-hydroxypropionic acid, 2-phenylhydracrylate, (2RS)-3-Hydroxy-2-phenylpropanoic Acid (Tropic Acid), tropasaure, di-Tropic acid, 3-Hydroxy-2-phenylpropanoicacid, UNII-9RM4U80765, 2-phenyl-3-hydroxypropanoic acid, Racemic tropic acid, EINECS 208-465-3, EINECS 209-020-6, Hyoscine Butylbromide EP Impurity B, b-Hydroxyhydratropate, NSC 20990, Tropic acid, 98%, (+-)-Tropate, Tropicamide impurity C, 2-PHENYL-3-HYDROXYPROPIONIC ACID, beta-Hydroxyhydratropate, Tropic acid (Standard), b-Hydroxyhydratropic acid, TROPIC ACID [MI], Tropic acid, (R)-isomer, Tropic acid, (S)-isomer, Tropicamide EP Impurity C, bmse000413, alpha-Phenylhydracrylic acid, DL-Tropic acid; >98%, Tropicamide impurity C CRS, Cambridge id 5132935, a-Phenyl-b-hydroxypropionate, Tropic acid, (+-)-isomer, Oprea1_210445, 3-Hydroxy-2-phenylpropionate, a-(Hydroxymethyl)phenylacetate, SCHEMBL468727, a-(Hydroxymethyl)benzeneacetate, Tropic acid, (.+/-.)-, orb3029380, a-Phenyl-b-hydroxypropionic acid, SCHEMBL12498877, CHEBI:30765, DTXSID90862179, PDK0255, a-(hydroxymethyl)phenylacetic acid, alpha-(Hydroxymethyl)phenylacetate, alpha-(Hydroxymethyl)benzeneacetate, alpha-Phenyl-beta-hydroxypropionate, HMS1577B17, HMS5085E13, Ipratropium Bromide EP Impurity C, TROPIC ACID, (+/-)-, 2-hydroxymethyl-2-phenylacetic acid, HY-W041194R, NSC20990, RAA20215, BBL010661, EBC-03275, MSK001839, s5689, STK801680, AKOS005609216, CS-W021934, FT31509, HY-W041194, MSK001839-100W, PS-5286, SDCCGMLS-0064629.P001, (S)-3-hydroxy-2-phenyl-propionic acid, AC-23896, FT183081, SY009488, Tropic acid Solution in Water, 100ug/mL, DB-372148, NS00042941, ST50330648, Tropic acid, Vetec(TM) reagent grade, 98%, TROPICAMIDE IMPURITY C [EP IMPURITY], Tropic acid 3-Hydroxy-2-phenylpropanoic acid, .alpha.-Toluic acid, .alpha.-(hydroxymethyl)-, C01456, EN300-105884, (+/-)-3-HYDROXY-2-PHENYLPROPIONIC ACID, (2RS)-3-HYDROXY-2-PHENYLPROPANOIC ACID, ATROPINE SULFATE IMPURITY C [EP IMPURITY], F175800, Q2823318, Z1080722424, 9392A742-913E-4F50-B2BE-B3E01B793DD6, Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (.+/-.)-, BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, (+/-)-, Tropicamide impurity C, European Pharmacopoeia (EP) Reference Standard, Atropine Sulfate EP Impurity C; Tropicamide EP Impurity C; Hyoscine EP Impurity C; Hyoscine Hydrobromide EP Impurity D; Hyoscine Butylbromide EP Impurity B
Theoretical properties:
molecular_formula: C9H10O3
molecular_weight: 166.17 g/mol
exact_mass: 166.062994177 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 12
topological_polar_surface_area: 57.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Tropic acid is a 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a phenyl group, and one of the methyl hydrogens is substituted by a hydroxy group. It has a role as a human xenobiotic metabolite. It is functionally related to a propionic acid and a hydratropic acid. It is a conjugate acid of a tropate.
chebi: A 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a phenyl group, and one of the methyl hydrogens is substituted by a hydroxy group.
wikipedia: Tropic acid is a chemical with IUPAC name 3-hydroxy-2-phenylpropanoic acid and condensed structural formula HOCH2CHPhCOOH.  It is a laboratory reagent used in the chemical synthesis of atropine and hyoscyamine.  Tropic acid is a chiral substance, existing as either a racemic mixture or as a single enantiomer.