AG00DLC5

500024-27-1 | Methyl 2-cyano-3-methylbenzoate

AG00DLC5

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CAS Number	500024-27-1
Catalog Number	AG00DLC5(AGN-PC-0WANJ8)
Chemical Name	Methyl 2-cyano-3-methylbenzoate
IUPAC Name	methyl 2-cyano-3-methylbenzoate
InChI	InChI=1S/C10H9NO2/c1-7-4-3-5-8(9(7)6-11)10(12)13-2/h3-5H,1-2H3
InChI Key	OINKWIOPYXLZJJ-UHFFFAOYSA-N
MDL Number	MFCD18399106
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	O=C(OC)C1=CC=CC(C)=C1C#N
Synonyms	methyl 2-cyano-3-methylbenzoate, 500024-27-1, 2-cyano-3-methyl-benzoic acid methyl ester, SCHEMBL6332331, OINKWIOPYXLZJJ-UHFFFAOYSA-N, MFCD18399106, ZINC83255228, AKOS025287145, DS-9438, MCULE-3966465731, NE23611, AK167211,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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