AG003RNO

6587-24-2 | Methyl 2-cyanobenzoate

AG003RNO

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CAS Number	6587-24-2
Catalog Number	AG003RNO(AGN-PC-0JT9R2)
Chemical Name	Methyl 2-cyanobenzoate
IUPAC Name	methyl 2-cyanobenzoate
InChI	InChI=1S/C9H7NO2/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-5H,1H3
InChI Key	RAMPDACRJWTXEV-UHFFFAOYSA-N
MDL Number	MFCD00016376
Molecular Formula	C9H7NO2
Molecular Weight	161.1574
SMILES	COC(=O)C1=C(C=CC=C1)C#N
Synonyms	Methyl 2-cyanobenzoate, 6587-24-2, Benzoic acid, 2-cyano-, methyl ester, METHYL-2-CYANO BENZOATE, methyl-2-cyanobenzoate, RAMPDACRJWTXEV-UHFFFAOYSA-N, Benzoic acid, o-cyano-, methyl ester, Methyl o-cyanobenzoate, AC1LBGYU, AC1Q4RHG, o-Cyanbenzoesauremethylester, AC1Q43JV, METHYL2-CYANOBENZOATE, SCHEMBL181067, 2-(Methoxycarbonyl)benzonitrile, CTK5C3208, KS-00000BEW, DTXSID80342511, 2-cyano-benzoic acid methyl ester, ZINC167296, ANW-74095, Benzoic acid, 2-cyano-,methyl ester, MFCD00016376, SBB053726, AKOS006229429, CS-W005307, FS-1551, MCULE-6542964142, TRA0046329, AJ-16646, AK-82518, CJ-02394, SC-27895, SY005784, ZB008814, TR-022356, FT-0628452, ST24047706, ST50409831, X2843, Z-3942, MFCD00016376 (95+%), 587M242, I01-7141, J-522007, C9H7NO2, AR-1J4737, CID582554, ZINC00167296, 6626-92-2,

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	0
Isotope Atom Count	0
Molecular Weight	161.16g/mol
Monoisotopic Mass	161.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number