AG0077GD

397310-83-7 | 5-Pyrimidinecarboxylicacid, 1,6-dihydro-1-methyl-6-oxo-

AG0077GD

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CAS Number	397310-83-7
Catalog Number	AG0077GD(AGN-PC-03S6G0)
Chemical Name	5-Pyrimidinecarboxylicacid, 1,6-dihydro-1-methyl-6-oxo-
IUPAC Name	1-methyl-6-oxopyrimidine-5-carboxylic acid
InChI	InChI=1S/C6H6N2O3/c1-8-3-7-2-4(5(8)9)6(10)11/h2-3H,1H3,(H,10,11)
InChI Key	JJNBMNOFEWLXRC-UHFFFAOYSA-N
MDL Number	MFCD20659751
Molecular Formula	C6H6N2O3
Molecular Weight	154.1234
SMILES	O=C(C1=CN=CN(C)C1=O)O
Synonyms	397310-83-7, 1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid, 5-Pyrimidinecarboxylicacid, 1,6-dihydro-1-methyl-6-oxo-, SCHEMBL783327, CTK1C1491, DTXSID10626250, ZINC39066362, FT-0707942, 5-pyrimidinecarboxylic acid,1,6-dihydro-1-methyl-6-oxo-,

Complexity	267
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	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	154.125g/mol
Monoisotopic Mass	154.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	70A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

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

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