AG0033GD

621-54-5 | 3-(3-Hydroxyphenyl)propanoic acid

AG0033GD

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CAS Number	621-54-5
Catalog Number	AG0033GD(AGN-PC-0JK5HY)
Chemical Name	3-(3-Hydroxyphenyl)propanoic acid
EC Number	210-692-8
IUPAC Name	3-(3-hydroxyphenyl)propanoic acid
InChI	InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)
InChI Key	QVWAEZJXDYOKEH-UHFFFAOYSA-N
MDL Number	MFCD00016554
Molecular Formula	C9H10O3
Molecular Weight	166.1739
SMILES	OC=1C=C(C=CC1)CCC(=O)O
UNII	FJ68OF1P7C
Synonyms	3-(3-hydroxyphenyl)propionate, 3-(3-hydroxyphenyl)propionic acid, dihydro-3-coumaric acid, dihydro-3-coumaric acid, monosodium salt, dihydro-m-coumaric acid, m-hydroxyphenylpropionic acid, 3-(3-hydroxyphenyl)propanoic acid, 621-54-5, 3-(3-hydroxyphenyl)propionic acid, Dihydro-3-coumaric acid, Benzenepropanoic acid, 3-hydroxy-, 3-(m-Hydroxyphenyl)propionic acid, 3-Hydroxybenzenepropanoic acid, 3-hydroxyhydrocinnamic acid, m-hydroxyphenylpropionic acid, 3-Hydroxyphenylpropionic acid, beta-(m-Hydroxyphenyl)propionic acid, HYDROCINNAMIC ACID, m-HYDROXY-, UNII-FJ68OF1P7C, m-hydroxy-hydrocinnamic acid, beta-(3-Hydroxyphenyl)propionic acid, NSC 33135, NSC 39468, m-hydrocoumaric acid, Dihydro-m-coumaric acid, 3-Hydroxyphenylpropanoate, EINECS 210-692-8, MFCD00016554, 3-(3-hydroxy-phenyl)-propionic acid, .beta.-(m-Hydroxyphenyl)propionic acid, BRN 1947445, FJ68OF1P7C, AI3-32395, 3-hydroxy-benzenepropanoic acid, CHEBI:1427, QVWAEZJXDYOKEH-UHFFFAOYSA-N, 3-(3'-hydroxyphenyl)propionic acid, 3-(3-hydroxyphenyl)-propionic acid, 3-(3-Hydroxy-phenyl)-propanoic acid, .beta.-(3-Hydroxyphenyl)propionic acid, m-hydroxyphenylpropionate, Dihydro-m-coumarate, Hydro-m-coumaric acid, m-hydroxy-Hydrocinnamate, ACMC-1BCXL, 3-Hydroxydihydrocinnamate, 3-Hydroxyphenylpropionate, AC1Q5VVU, 3-Hydroxybenzenepropanoate, AC1L18GJ, SCHEMBL65250, 3-Hydroxydihydrocinnamic acid, 4-10-00-00630 (Beilstein Handbook Reference), b-(m-Hydroxyphenyl)propionate, KSC495A2J, 3-(m-Hydroxyphenyl)propionate, b-(3-Hydroxyphenyl)propionate, CHEMBL134401, beta-(m-Hydroxyphenyl)propionate, beta-(3-Hydroxyphenyl)propionate, CTK3J5024, 3-(3-Hydroxyphenyl)propionicacid, DTXSID00211154, 3-(3-Hydroxy-phenyl)-propanoate, b-(m-Hydroxyphenyl)propionic acid, b-(3-Hydroxyphenyl)propionic acid, ZINC156346, ACT02962, KS-000002GL, NSC33135, NSC39468, ANW-46403, NSC-33135, NSC-39468, SBB057915, AKOS000172844, CS-W005255, DS-1833, MCULE-1658802071, RTC-066381, TRA0008490, AJ-13774, AK-86241, BC687786, Benzenepropanoic acid, 3-hydroxy- (9CI), LS-77203, SC-13620, ST092342, SY022016, AB0011951, DB-021630, ST2410351, TC-066381, AM20040880, FT-0602143, C11457, M-2911, MFCD00016554 (97+%), AN-651/40987637, I14-5761, 3-(3-Hydroxyphenyl)propionic acid, >=98.0% (qNMR), F2119-0005, Z1741963250, InChI=1/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12, 3-(3-hydroxyphenyl)propanoate, CID91, 3-Hydroxyphenylpropanoic acid, 3-(3-hydroxyphenyl)propionate, C9H10O3, AR-1J6771, C9-H10-O3, ACN-031390, 1092064-02-2, 6323-91-7,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	166.176g/mol
Monoisotopic Mass	166.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number