AG00CIVC

35066-32-1 | Methyl 3-cyano-4-methylbenzoate

AG00CIVC

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CAS Number	35066-32-1
Catalog Number	AG00CIVC(AGN-PC-00GTE2)
Chemical Name	Methyl 3-cyano-4-methylbenzoate
IUPAC Name	methyl 3-cyano-4-methylbenzoate
InChI	InChI=1S/C10H9NO2/c1-7-3-4-8(10(12)13-2)5-9(7)6-11/h3-5H,1-2H3
InChI Key	QMGIAFDCHWFQKS-UHFFFAOYSA-N
MDL Number	MFCD12405069
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	c1(c(ccc(c1)C(=O)OC)C)C#N
Synonyms	Methyl 3-cyano-4-methylbenzoate, 35066-32-1, Benzoic acid, 3-cyano-4-methyl-, methyl ester, 5-cyano-4-methylbenzoic acid methyl ester, SCHEMBL2478176, KS-00000ROP, DTXSID80473713, QMGIAFDCHWFQKS-UHFFFAOYSA-N, MFCD12405069, ZINC36458958, AKOS022171948, DS-5554, WT82231, AJ-92943, AK136726, SC-52299, FT-0721484, W-2607, 3-Cyano-4-methyl-methylbenzoate, Methyl 3-cyano-4-methyl-benzoate, CID11819538,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	175.187g/mol
Monoisotopic Mass	175.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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