AG00DKI8

527681-11-4 | 2-Pyridinecarboxylic acid, 4,5-dihydroxy-, methyl ester

AG00DKI8

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CAS Number	527681-11-4
Catalog Number	AG00DKI8(AGN-PC-0OBRB6)
Chemical Name	2-Pyridinecarboxylic acid, 4,5-dihydroxy-, methyl ester
IUPAC Name	methyl 5-hydroxy-4-oxo-1H-pyridine-2-carboxylate
InChI	InChI=1S/C7H7NO4/c1-12-7(11)4-2-5(9)6(10)3-8-4/h2-3,10H,1H3,(H,8,9)
InChI Key	ANZJSWOJXMSXEY-UHFFFAOYSA-N
MDL Number	MFCD13152140
Molecular Formula	C7H7NO4
Molecular Weight	169.1348
SMILES	C(=O)(OC)c1cc(O)c(cn1)O
Synonyms	methyl 4,5-dihydroxypicolinate, 527681-11-4, METHYL 4,5-DIHYDROXYPYRIDINE-2-CARBOXYLATE, 2-Pyridinecarboxylicacid,4,5-dihydroxy-,methylester(9CI), 2-PYRIDINECARBOXYLIC ACID, 4,5-DIHYDROXY-, METHYL ESTER, methyl 5-hydroxy-4-oxo-1H-pyridine-2-carboxylate, SCHEMBL5917841, ANZJSWOJXMSXEY-UHFFFAOYSA-N, KS-000004VX, MFCD13152140, ZINC39058759, AKOS015891832, AKOS032947729, FCH1171626, PB34753, ACM527681114, AJ-97781, AK158118, AS-46541, OR302205, AB0198378, AX8292011, DB-010182, 4CH-022546, CS-0049064, FT-0706163, ST24047860, Q-3405, I02-2525, 2-Pyridinecarboxylic acid, 2-Pyridinecarboxylic acid, 4,5-dihydroxy-, methyl ester (9CI),

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.038g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	169.136g/mol
Monoisotopic Mass	169.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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