AG00CMP2

406719-76-4 | Methyl 4-cyano-2-methoxybenzoate

AG00CMP2

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CAS Number	406719-76-4
Catalog Number	AG00CMP2(AGN-PC-0BTO06)
Chemical Name	Methyl 4-cyano-2-methoxybenzoate
IUPAC Name	methyl 4-cyano-2-methoxybenzoate
InChI	InChI=1S/C10H9NO3/c1-13-9-5-7(6-11)3-4-8(9)10(12)14-2/h3-5H,1-2H3
InChI Key	JFCISGMVSHCQBL-UHFFFAOYSA-N
MDL Number	MFCD18399095
Molecular Formula	C10H9NO3
Molecular Weight	191.1834
SMILES	O=C(OC)C1=CC=C(C#N)C=C1OC
Synonyms	methyl 4-cyano-2-methoxybenzoate, 406719-76-4, SCHEMBL1613328, JFCISGMVSHCQBL-UHFFFAOYSA-N, MFCD18399095, ZINC83255041, AKOS027254514, MCULE-7446548050, NE34618, AK204971, DA-06073, DS-10388, 4-Cyano-2-methoxy-benzoic acid methyl ester, CS-0043191, FT-0718663, Benzoic acid, 4-cyano-2-methoxy-, methyl ester, ETHYL 2,3-DIHYDRO-2-OXO-3-BENZOXAZOLECARBOXYLATE, 17280-90-9,

Complexity	255
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	3
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
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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