AG00G7XF

84923-71-7 | 5-Cyano-2-methoxybenzoic acid

AG00G7XF

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CAS Number	84923-71-7
Catalog Number	AG00G7XF(AGN-PC-03I2AL)
Chemical Name	5-Cyano-2-methoxybenzoic acid
IUPAC Name	5-cyano-2-methoxybenzoic acid
InChI	InChI=1S/C9H7NO3/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-4H,1H3,(H,11,12)
InChI Key	YZBRQGBGYGMYEO-UHFFFAOYSA-N
MDL Number	MFCD14536333
Molecular Formula	C9H7NO3
Molecular Weight	177.1568
SMILES	O=C(O)C1=CC(C#N)=CC=C1OC
Synonyms	5-Cyano-2-methoxybenzoic acid, 84923-71-7, Benzoic acid, 5-cyano-2-methoxy-, A1-00573, SCHEMBL546183, 2-Methoxy-5-cyanobenzoic Acid, 5-Cyano-2-methoxy-benzoic acid, YZBRQGBGYGMYEO-UHFFFAOYSA-N, MFCD14536333, ZINC36196640, AKOS016352841, FCH1157444, MCULE-9699070025, 5-CYANO-2- METHOXYBENZOIC ACID, AK162069, OR400619,

Complexity	243
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.043g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	177.159g/mol
Monoisotopic Mass	177.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	70.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number