AG000PI6

119715-66-1 | 2-Pyridinecarboxylic acid, 4-methyl-6-phenyl-, methyl ester

AG000PI6

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CAS Number	119715-66-1
Catalog Number	AG000PI6(AGN-PC-0NZXL8)
Chemical Name	2-Pyridinecarboxylic acid, 4-methyl-6-phenyl-, methyl ester
IUPAC Name	methyl 4-methyl-6-phenylpyridine-2-carboxylate
InChI	InChI=1S/C14H13NO2/c1-10-8-12(11-6-4-3-5-7-11)15-13(9-10)14(16)17-2/h3-9H,1-2H3
InChI Key	RXEBDJMYLFMGKI-UHFFFAOYSA-N
MDL Number	MFCD27938857
Molecular Formula	C14H13NO2
Molecular Weight	227.2585
SMILES	O=C(OC)C1=NC(C2=CC=CC=C2)=CC(C)=C1
Synonyms	Methyl 4-methyl-6-phenylpicolinate, 119715-66-1, MFCD27938857, ZINC98177550, AKOS022186796, AK146498, AJ-138654, AX8284061, METHYL 4-METHYL-6-PHENYLPYRIDINE-2-CARBOXYLATE, 2-Pyridinecarboxylic acid, 4-methyl-6-phenyl-, methyl ester,

Complexity	261
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.095g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.263g/mol
Monoisotopic Mass	227.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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