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168428-09-9 | 5-Pyrimidinecarboxylic acid, 1,2-dihydro-1-methyl-2-oxo-
CAS No: 168428-09-9 Catalog No: AG001Y2N MDL No:
Product Description
Catalog Number:
AG001Y2N
Chemical Name:
5-Pyrimidinecarboxylic acid, 1,2-dihydro-1-methyl-2-oxo-
CAS Number:
168428-09-9
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
IUPAC Name:
1-methyl-2-oxopyrimidine-5-carboxylic acid
InChI:
InChI=1S/C6H6N2O3/c1-8-3-4(5(9)10)2-7-6(8)11/h2-3H,1H3,(H,9,10)
InChI Key:
MCODEKXQAWLEFI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(=O)n(c1)C
Properties
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:
3
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:
-0.8
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