AG002GHV

1878-71-3 | 3-Cyanobenzeneacetic acid

AG002GHV

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CAS Number	1878-71-3
Catalog Number	AG002GHV(AGN-PC-0K6CAV)
Chemical Name	3-Cyanobenzeneacetic acid
IUPAC Name	2-(3-cyanophenyl)acetic acid
InChI	InChI=1S/C9H7NO2/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5H2,(H,11,12)
InChI Key	ZNXMNKGBHYVNNE-UHFFFAOYSA-N
MDL Number	MFCD06411079
Molecular Formula	C9H7NO2
Molecular Weight	161.1574
SMILES	C(#N)C=1C=C(C=CC1)CC(=O)O
Synonyms	2-(3-cyanophenyl)acetic Acid, 1878-71-3, 3-Cyanophenylacetic acid, (3-cyanophenyl)acetic acid, Benzeneacetic acid, 3-cyano-, m-Cyanophenylacetic acid, (3-cyano-phenyl)-acetic acid, 3-Cyanophenylacetic acid, 95%, ACMC-20a9gi, 3-cyano phenyl acetic acid, AC1LU32V, Benzeneacetic acid,3-cyano-, SCHEMBL335418, 2-(3-cyanophenyl) acetic acid, CTK4D9635, KS-00000NLA, DTXSID30364021, ZNXMNKGBHYVNNE-UHFFFAOYSA-N, ZINC1442925, ANW-63184, MFCD06411079, AKOS010056415, AS06093, CM13683, CS-W005265, DS-2435, FS-2465, MCULE-2349283816, AJ-26148, AK-87994, DA-19292, SC-52433, AB0061406, ST2416075, TC-151929, 4CH-015554, FT-0690381, Z4338, M-9748, AE-562/43460503, J-012092, Z1342879048, C9H7NO2, ACN-001207, CID1519397, 3-Cyanophenylacetic acid, 97% - 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	161.048g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	161.16g/mol
Monoisotopic Mass	161.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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