AG001UN8

1641-00-5 | Benzoic acid, 2-(cyanomethoxy)-, methyl ester

AG001UN8

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CAS Number	1641-00-5
Catalog Number	AG001UN8(AGN-PC-0K8Q6B)
Chemical Name	Benzoic acid, 2-(cyanomethoxy)-, methyl ester
IUPAC Name	methyl 2-(cyanomethoxy)benzoate
InChI	InChI=1S/C10H9NO3/c1-13-10(12)8-4-2-3-5-9(8)14-7-6-11/h2-5H,7H2,1H3
InChI Key	GMWTWTDYLCCEKF-UHFFFAOYSA-N
MDL Number	MFCD01924694
Molecular Formula	C10H9NO3
Molecular Weight	191.1834
SMILES	COC(C1=C(OCC#N)C=CC=C1)=O
Synonyms	methyl 2-(cyanomethoxy)benzoate, 1641-00-5, methyl 2-(cyanomethoxy)benzenecarboxylate, (2-carbomethoxyphenoxy)acetonitrile, AC1LWTFN, Bionet2_001315, Oprea1_172001, SCHEMBL6948700, CTK4D1728, KS-00001WBT, DTXSID00365060, methylcyanomethoxybenzenecarboxylate, HMS1367L17, ZINC2078004, 8339AA, ANW-55564, MFCD01924694, SBB091281, AKOS005070347, 2-Cyanomethoxybenzoic acid methyl ester, MCULE-5885516942, NE54722, RP11305, AJ-33489, CJ-32796, TR-007049, FT-0680347, Benzoic acid,2-(cyanomethoxy)-, methyl ester, 4F-048, AB-337/13036193, J-521868, I01-13064, C10H9NO3, ZINC02078004, CID1738250,

Complexity	243
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.186g/mol
Monoisotopic Mass	191.058g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	59.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312-H315-H319-H331-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P311
UN Code	UN 3439

Certificate of Analysis

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