AG00ELD7

64630-00-8 | 2-Amino-4-cyanobenzoic acid

AG00ELD7

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CAS Number	64630-00-8
Catalog Number	AG00ELD7(AGN-PC-0N310P)
Chemical Name	2-Amino-4-cyanobenzoic acid
IUPAC Name	2-amino-4-cyanobenzoic acid
InChI	InChI=1S/C8H6N2O2/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-3H,10H2,(H,11,12)
InChI Key	LTYSISNGLCCCBW-UHFFFAOYSA-N
MDL Number	MFCD20638913
Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
SMILES	C(=O)(O)c1c(N)cc(cc1)C#N
Synonyms	2-Amino-4-cyanobenzoic acid, 64630-00-8, 2-amino-4Cyanobenzoic acid, SCHEMBL3609438, Benzoic acid, 2-amino-4-cyano-, LTYSISNGLCCCBW-UHFFFAOYSA-N, MFCD20638913, ZINC83822451, AKOS027254786, AS-46322, DA-41800, FT-0743992, 2-amino-4-cyano-benzoic Acid, CID10351981,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	162.148g/mol
Monoisotopic Mass	162.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	87.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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