AG000X4I

127510-95-6 | 2-Cyano-5-methoxy-benzoic acid methyl ester

AG000X4I

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CAS Number	127510-95-6
Catalog Number	AG000X4I(AGN-PC-0N2NX9)
Chemical Name	2-Cyano-5-methoxy-benzoic acid methyl ester
IUPAC Name	methyl 2-cyano-5-methoxybenzoate
InChI	InChI=1S/C10H9NO3/c1-13-8-4-3-7(6-11)9(5-8)10(12)14-2/h3-5H,1-2H3
InChI Key	YIRZMMZVHCFIAK-UHFFFAOYSA-N
MDL Number	MFCD09800435
Molecular Formula	C10H9NO3
Molecular Weight	191.1834
SMILES	O=C(OC)C1=CC(OC)=CC=C1C#N
Synonyms	METHYL 2-CYANO-5-METHOXYBENZOATE, 127510-95-6, 2-Cyano-5-methoxybenzoic acid methyl ester, BENZOIC ACID, 2-CYANO-5-METHOXY-, METHYL ESTER, 2-cyano-5-methoxy-benzoic acid methyl ester, Methyl 2-cyano-5-methoxy-benzoate, SCHEMBL4316682, CTK4B5632, DTXSID50438177, YIRZMMZVHCFIAK-UHFFFAOYSA-N, ZX-RL001802, 5347AA, FCH870390, MFCD09800435, ZINC16697668, AKOS006328181, MB07668, AJ-69383, AK112104, AS-37462, DA-13016, OR305013, AB0075854, AX8138268, RT-007712, FT-0738245, L-1105, C10H9NO3, METHYL2-CYANO-5-METHOXYBENZOATE, CID10330182, 22246-21-5,

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	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number