Compound: hydrocinnamic acid
SMILES: O=C(O)CCc1ccccc1
InChIKey: XMIIGOLPHOKFCH-UHFFFAOYSA-N
Synonyms: hydrocinnamic acid, 3-phenylpropionic acid, 501-52-0, Benzenepropanoic acid, Dihydrocinnamic acid, Benzenepropionic acid, 3-Phenyl propionic acid, 3-Phenyl-propionic acid, FEMA No. 2889, 5Q445IN5CU, DTXSID2047064, NSC-9272, DTXCID0027064, CHEBI:28631, RefChem:789007, 207-924-5, 3-Phenylpropanoic acid, Benzylacetic acid, BETA-PHENYLPROPIONIC ACID, Phenylpropanoic acid, Phenylpropionic acid, Phenylpropanoate, MFCD00002771, PHENYL PROPIONIC ACID, NSC 9272, 3-Phenyl-n-propionic acid, CHEMBL851, .beta.-Phenylpropanoic acid, .beta.-Phenylpropionic acid, 3PP, Hydrocinnamic Acid (3-Phenylpropanoic Acid), 3-PHENYLPROPIONIC ACID3-Phenyl-propionic acid, HCI, HYDROCINNAMIC-D5 ACID, 3-Phenylpropionic acid;3-Phenylpropanoic acid;3-Phenyl-n-propionic acid, CCRIS 3199, EINECS 207-924-5, BRN 0907515, UNII-5Q445IN5CU, Hydrozimtsaeure, Dihydrocinnamate, hydrocinnamicacid, AI3-00892, Benzenepropionate, Hyrocinnamic acid, b-Phenylpropionate, w-Phenylpropanoate, 1ahx, 1tog, 1toi, 1toj, 3-Phenylpropionsaeure, omega-Phenylpropanoate, 3-phenylproionic acid, b-Phenylpropionic acid, w-Phenylpropanoic acid, 3-Phenyl-n-propionate, beta-Phenylpropioic acid, 3-phenyl-propanoic acid, 3-Phenyl propanoic acid, omega-Phenylpropanoic acid, Hydrocinnamic acid, 99%, 3-phenylpropionic acid D5, bmse000675, I(2)-phenylpropionic acid, propanoic acid, 3-phenyl-, SCHEMBL3419, Enalapril Maleate Impurity 1, 4-09-00-01752 (Beilstein Handbook Reference), Hydrocinnamic acid (Standard), SCHEMBL297973, SCHEMBL442434, orb1303833, orb3141493, SCHEMBL1156726, SCHEMBL1419158, SCHEMBL1510129, SCHEMBL1822585, HYDROCINNAMIC ACID [MI], SCHEMBL11046933, SCHEMBL11430283, HY-Y1088R, NSC9272, 3-Phenylpropionic acid, 99%, FG, ARD181994D5, HY-Y1088, 3PP; 3-PHENYLPROPIONIC ACID, Tox21_302329, BBL011572, BDBM50304072, EBC-47334, s6254, SBB056662, STK286011, 3-PHENYLPROPIONIC ACID [FHFI], AKOS000119624, BS-3829, CS-W019781, DB02024, FH23881, Hydrocinnamic acid, analytical standard, NCGC00256189-01, BP-21020, CAS-501-52-0, ST097541, SY001654, DB-014319, H0183, NS00002042, EN300-17962, C05629, F216287, Q4358522, Z57127332, F2191-0065, E76D1F9D-CBB1-4B91-8949-75B4F6F4C481, HYDROCINNAMIC-D5 ACID;HYDROCINNAMIC-D5 ACID (PHENYL-D5), Hydrocinnamic acid; 3-Phenylpropanoic acid; beta-Phenylpropionic acid, InChI=1/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11, Hydrocinnamic acid (8CI), omega-Phenylpropanoic acid, Dihydrocinnamic acid, beta-Phenylpropanoic acid,Benzenepropanoic Acid, 3-Phenylpropionic acid, beta-Phenylpropionic acid, 3-Phenylpropanoic acid, 3-Phenyl-n-propionic acid, Benzenepropionic acid, NSC 9272, Benzylacetic acid, ?(c)R-Phenylpropanoic acid
Theoretical properties:
molecular_formula: C9H10O2
molecular_weight: 150.17 g/mol
exact_mass: 150.068079557 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 3
heavy_atom_count: 11
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 3-phenylpropionic acid is a monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group. It has a role as an antifungal agent, a plant metabolite and a human metabolite. It is a member of benzenes and a monocarboxylic acid. It is functionally related to a propionic acid. It is a conjugate acid of a 3-phenylpropionate.
chebi: A monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group.
chembl: PHENYL PROPIONIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Phenylpropanoic acid or hydrocinnamic acid is a carboxylic acid with the formula C9H10O2 belonging to the class of phenylpropanoids. It is a white, crystalline solid with a sweet, floral scent at room temperature. Phenylpropanoic acid has a wide variety of uses including cosmetics, food additives, and pharmaceuticals.