AG00693H

89379-73-7 | 2-Oxo-3H-pyrimidine-4-carboxylic acid

AG00693H

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CAS Number	89379-73-7
Catalog Number	AG00693H(AGN-PC-0JOJOI)
Chemical Name	2-Oxo-3H-pyrimidine-4-carboxylic acid
IUPAC Name	2-oxo-1H-pyrimidine-6-carboxylic acid
InChI	InChI=1S/C5H4N2O3/c8-4(9)3-1-2-6-5(10)7-3/h1-2H,(H,8,9)(H,6,7,10)
InChI Key	OEPPJKDEBZBNNG-UHFFFAOYSA-N
MDL Number	MFCD11870764
Molecular Formula	C5H4N2O3
Molecular Weight	140.0969
NSC Number	60805
SMILES	O=C1NC(=CC=N1)C(=O)O
Synonyms	89379-73-7, 2-oxo-3H-pyrimidine-4-carboxylic acid, 2-HYDROXYPYRIMIDINE-4-CARBOXYLIC ACID, 2-OXO-2,3-DIHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-oxo-1,2-dihydropyrimidine-4-carboxylic acid, 2-oxo-1H-pyrimidine-6-carboxylic acid, AK-30175, 4-Pyrimidinecarboxylicacid, 1,2-dihydro-2-oxo-, 4-Pyrimidinecarboxylic acid, 1,2-dihydro-2-oxo-, NSC60805, ACMC-20e8pt, AC1L6JDZ, pyrimidinol carboxylic acid, SCHEMBL3560191, CTK3E8535, DTXSID00289419, OEPPJKDEBZBNNG-UHFFFAOYSA-N, ZINC1690468, ANW-51626, MFCD11870764, NSC-60805, AKOS006376188, AKOS015910027, AKOS022181772, GS-5870, QC-3747, RP20580, KS-0000265P, AJ-70061, BR-30175, SY022754, AX8158373, 4CH-001591, CS-0019355, FT-0646676, W9231, MFCD19227421 (95%), C-2562, 2-oxidanylidene-1H-pyrimidine-6-carboxylic acid, A843177, I14-2998, J-510217, C5H4N2O3, CID247031, 2-cyano-N-(4-methoxybenzyl)acetamide, 4-Pyrimidinecarboxylicacid,1,2-dihydro-2-oxo-, 4-Pyrimidinecarboxylic acid, 1,2-dihydro-2-oxo- (9CI),

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.022g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	140.098g/mol
Monoisotopic Mass	140.022g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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