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168130-75-4 | 5-Pyrimidinecarboxylic acid, 1,2-dihydro-4,6-dimethyl-2-oxo-, ethyl ester
CAS No: 168130-75-4 Catalog No: AG001XUJ MDL No:
Product Description
Catalog Number:
AG001XUJ
Chemical Name:
5-Pyrimidinecarboxylic acid, 1,2-dihydro-4,6-dimethyl-2-oxo-, ethyl ester
CAS Number:
168130-75-4
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
IUPAC Name:
ethyl 4,6-dimethyl-2-oxo-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C9H12N2O3/c1-4-14-8(12)7-5(2)10-9(13)11-6(7)3/h4H2,1-3H3,(H,10,11,13)
InChI Key:
KJWOQDPSBKFTPF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)nc(=O)[nH]c1C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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