AG002KQD

210366-15-7 | 2-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-1-(phenylMethoxy)-

AG002KQD

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CAS Number	210366-15-7
Catalog Number	AG002KQD(AGN-PC-00P9RE)
Chemical Name	2-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-1-(phenylMethoxy)-
IUPAC Name	6-oxo-1-phenylmethoxypyridine-2-carboxylic acid
InChI	InChI=1S/C13H11NO4/c15-12-8-4-7-11(13(16)17)14(12)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)
InChI Key	CIUDQXNWTGQYIC-UHFFFAOYSA-N
MDL Number	MFCD20270106
Molecular Formula	C13H11NO4
Molecular Weight	245.2307
SMILES	O=C(C1=CC=CC(N1OCC2=CC=CC=C2)=O)O
Synonyms	1-(Benzyloxy)-6-oxo-1,6-dihydropyridine-2-carboxylic acid, 210366-15-7, AK-88628, SCHEMBL2983076, CTK8B4672, KS-00000PTR, DTXSID10572900, CIUDQXNWTGQYIC-UHFFFAOYSA-N, ANW-45857, MFCD20270106, ZINC34558701, AKOS015998906, FCH2846575, 1-Benzyloxy-6-carboxy-2(1H)pyridinone, 1-Benzyloxy-6-carboxy-2(1H)-pyridinone, AJ-89322, 1-Benzyloxy-6-carboxy-2 (1H)-pyridinone, AX8227273, TC-134602, ST24021153, W4396, 6-oxo-1-phenylmethoxypyridine-2-carboxylic acid, C13H11NO4, 1-(Benzyloxy)-6-oxo-1,6-dihydropyridine-2-carboxylicacid, 2-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-1-(phenylmethoxy)-,

Complexity	394
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.069g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.234g/mol
Monoisotopic Mass	245.069g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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