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1159010-94-2 | 4-Pyrimidinecarboxylic acid, 1,6-dihydro-5-methyl-6-oxo-
CAS No: 1159010-94-2 Catalog No: AG000H2N MDL No:MFCD17215886
Product Description
Catalog Number:
AG000H2N
Chemical Name:
4-Pyrimidinecarboxylic acid, 1,6-dihydro-5-methyl-6-oxo-
CAS Number:
1159010-94-2
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
MDL Number:
MFCD17215886
IUPAC Name:
5-methyl-6-oxo-1H-pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C6H6N2O3/c1-3-4(6(10)11)7-2-8-5(3)9/h2H,1H3,(H,10,11)(H,7,8,9)
InChI Key:
UCGQDPAMFRDQOC-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc[nH]c(=O)c1C
Properties
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:
4
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
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