AG007XWO

103261-67-2 | Methyl 4-cyano-2-methylbenzoate

AG007XWO

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CAS Number	103261-67-2
Catalog Number	AG007XWO(AGN-PC-0215BY)
Chemical Name	Methyl 4-cyano-2-methylbenzoate
IUPAC Name	methyl 4-cyano-2-methylbenzoate
InChI	InChI=1S/C10H9NO2/c1-7-5-8(6-11)3-4-9(7)10(12)13-2/h3-5H,1-2H3
InChI Key	PDQNYPAJSAVURS-UHFFFAOYSA-N
MDL Number	MFCD18399110
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	C(=O)(OC)c1c(C)cc(cc1)C#N
Synonyms	METHYL 4-CYANO-2-METHYLBENZOATE, 103261-67-2, 4-cyano-2-methylBenzoic acid methyl ester, KSC495M4P, SCHEMBL289565, CTK3J5647, KS-00000OCJ, DTXSID90596104, PDQNYPAJSAVURS-UHFFFAOYSA-N, ACT07415, BCP19696, CS-B1028, 0775AA, CL8568, MFCD18399110, ZINC83406814, AKOS016010194, DS-5760, AK112712, CJ-22124, DA-19165, 4-Cyano-2-methyl-benzoic acid methyl ester, AJ-125949, RT-002622, FT-0687140, ST24047916, Methyl4-cyano-2-methylbenzoate, C10H9NO2,

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	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number