AG003JZ9

38628-51-2 | 4-(2-Carboxyethyl)benzoic acid

AG003JZ9

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CAS Number	38628-51-2
Catalog Number	AG003JZ9(AGN-PC-0JX29V)
Chemical Name	4-(2-Carboxyethyl)benzoic acid
IUPAC Name	4-(2-carboxyethyl)benzoic acid
InChI	InChI=1S/C10H10O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,3,6H2,(H,11,12)(H,13,14)
InChI Key	QSPCOYVUYYFWAU-UHFFFAOYSA-N
MDL Number	MFCD00016560
Molecular Formula	C10H10O4
Molecular Weight	194.1840
SMILES	O=C(O)CCC1=CC=C(C(O)=O)C=C1
Synonyms	38628-51-2, 4-(2-carboxyethyl)benzoic Acid, 3-(4-Carboxyphenyl)propionic acid, 4-Carboxyhydrocinnamic acid, 3-(4-CARBOXYPHENYL)PROPANOIC ACID, Benzenepropanoic acid, 4-carboxy-, MFCD00016560, PubChem19268, AC1LGYU9, ACMC-1CTF7, 4-Carboxybenzenepropionic acid, SCHEMBL264975, Carboxyphenylpropionicacid; 985, Benzenepropanoic acid,4-carboxy-, CTK4I0246, KS-00000NAI, DTXSID40357540, QSPCOYVUYYFWAU-UHFFFAOYSA-N, ZINC403493, 3-(4-Carboxylphenyl)propionic acid, ANW-28938, SBB068267, AKOS002182515, AC-5069, MCULE-9352979588, 4-(3-hydroxy-3-oxopropyl)benzoic acid, 3-(4-Carboxyphenyl)propionic acid, 97%, AJ-22132, AK-45843, AN-11361, SC-26028, SY032042, AB0000791, AB1004424, ST2401866, TC-066401, CS-0003853, FT-0652741, ST50072229, W5927, MFCD00016560 (97%), S-0186, A824207, I14-5750, F9995-0938, 3- propionicacid, 4-(2-Carboxyethyl)benzoicacid, Benzenepropanoic acid, 4-?carboxy-, C10H10O4, c1023, CID854054, ACN-031418, 3-(4-chloro-2-methylphenoxy)-2-butanone, 3-(4-Carboxyphenyl)propionic acid, 98% - 1G 1g,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	194.186g/mol
Monoisotopic Mass	194.058g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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

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