AG0005G4

10177-13-6 | 3-Pyridinecarboxylic acid, 5-phenyl-, methyl ester

AG0005G4

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CAS Number	10177-13-6
Catalog Number	AG0005G4(AGN-PC-02MGK1)
Chemical Name	3-Pyridinecarboxylic acid, 5-phenyl-, methyl ester
IUPAC Name	methyl 5-phenylpyridine-3-carboxylate
InChI	InChI=1S/C13H11NO2/c1-16-13(15)12-7-11(8-14-9-12)10-5-3-2-4-6-10/h2-9H,1H3
InChI Key	CJXJQNNSSJBPBF-UHFFFAOYSA-N
MDL Number	MFCD06802742
Molecular Formula	C13H11NO2
Molecular Weight	213.2319
SMILES	O=C(OC)C1=CN=CC(C2=CC=CC=C2)=C1
Synonyms	methyl 5-phenylnicotinate, 10177-13-6, methyl 5-phenylpyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 5-phenyl-, methyl ester, SCHEMBL9008962, CTK8G4403, DTXSID50602513, CJXJQNNSSJBPBF-UHFFFAOYSA-N, ZINC8700058, MFCD06802742, AKOS004118984, RL00095, AJ-58329, PS-11147, 4CH-004863, BB 0223892, ST24048024, J3.568.386K, 5-phenyl-3-pyridinecarboxylic acid methyl ester, 5-Phenylpyridine-3-carboxylic acid methyl ester, 5-phenyl-pyridine-3-carboxylic acid methyl ester, A800448, Methyl5-phenylnicotinate,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.079g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.236g/mol
Monoisotopic Mass	213.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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