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306961-02-4 | 4-Pyrimidinecarboxylic acid, 1,2-dihydro-2-oxo-, ethyl ester
CAS No: 306961-02-4 Catalog No: AG0030ZQ MDL No:
Product Description
Catalog Number:
AG0030ZQ
Chemical Name:
4-Pyrimidinecarboxylic acid, 1,2-dihydro-2-oxo-, ethyl ester
CAS Number:
306961-02-4
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
IUPAC Name:
ethyl 2-oxo-1H-pyrimidine-6-carboxylate
InChI:
InChI=1S/C7H8N2O3/c1-2-12-6(10)5-3-4-8-7(11)9-5/h3-4H,2H2,1H3,(H,8,9,11)
InChI Key:
NMPUSNGXXUGWPD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc[nH]c(=O)n1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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