AG000U03

13008-17-8 | 5-Pyrimidinecarboxylic acid, 1,2-dihydro-6-methyl-2-oxo-

AG000U03

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CAS Number	13008-17-8
Catalog Number	AG000U03(AGN-PC-0L0K5U)
Chemical Name	5-Pyrimidinecarboxylic acid, 1,2-dihydro-6-methyl-2-oxo-
IUPAC Name	6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
InChI	InChI=1S/C6H6N2O3/c1-3-4(5(9)10)2-7-6(11)8-3/h2H,1H3,(H,9,10)(H,7,8,11)
InChI Key	CUECEAQETPETQR-UHFFFAOYSA-N
MDL Number	MFCD03425969
Molecular Formula	C6H6N2O3
Molecular Weight	154.1234
SMILES	O=C(C1=CN=C(O)N=C1C)O
Synonyms	2-Hydroxy-4-methylpyrimidine-5-carboxylic acid, 13008-17-8, 6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid, AC1MXUYT, SCHEMBL8546294, CTK0H1784, CTK8A0853, DTXSID00396879, ZINC1040517, MFCD03425969, TD8091, AKOS005135906, HP21494, QC-1231, AJ-24760, AS-54712, HC210558, SC-14781, AB0088411, DB-062725, TR-039335, 4CH-022373, FT-0646891, ST24040678, I14-33557, 4-METHYL-2-CHLORO-PYRIMIDINE-5-CARBOXYLIC ACID, 5-Pyrimidinecarboxylicacid, 1,2-dihydro-6-methyl-2-oxo-, CID3821780, 4-methyl-2-oxo-3H-pyrimidine-5-carboxylic Acid, 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylic Acid, 2-Hydroxy-4-methylpyrimidine-5-carboxylic acid, 97% - 1G 1g,

Complexity	278
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.038g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	154.125g/mol
Monoisotopic Mass	154.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

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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