AG00ICFQ

73721-06-9 | 2-(3-Methylphenyl)propanoic acid

AG00ICFQ

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CAS Number	73721-06-9
Catalog Number	AG00ICFQ(AGN-PC-00F6TF)
Chemical Name	2-(3-Methylphenyl)propanoic acid
IUPAC Name	2-(3-methylphenyl)propanoic acid
InChI	InChI=1S/C10H12O2/c1-7-4-3-5-9(6-7)8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)
InChI Key	ZUWBVWNCAANKGU-UHFFFAOYSA-N
MDL Number	MFCD11036888
Molecular Formula	C10H12O2
Molecular Weight	164.2011
SMILES	CC(C1=CC=CC(C)=C1)C(O)=O
Synonyms	2-(3-methylphenyl)propanoic acid, 2-(m-Tolyl)propanoic acid, 73721-06-9, 2-(3-methylphenyl)propanoic Acid, (2S)-2-(3-methylphenyl)propanoic acid, AC1NRWRX, 2-m-tolylpropanoic acid, 3-methyl-hydratropic acid, 2-m-Tolyl-propionic acid, SCHEMBL1492650, ZUWBVWNCAANKGU-UHFFFAOYSA-N, alpha,3-Dimethylbenzeneacetic acid, 1119AJ, AKOS008146463, Benzeneacetic acid, alpha,3-dimethyl-, MCULE-8910578354, NE43718, EN300-82467, (R)-2-m-Tolyl-propionic acid, (S)-2-m-Tolyl-propionic acid, C10H12O2, CID5249709, 213406-28-1, 601472-22-4,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.204g/mol
Monoisotopic Mass	164.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

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