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168428-18-0 | 5-Pyrimidinecarboxylic acid, 1-ethyl-1,2,3,6-tetrahydro-2,6-dioxo-, ethyl ester
CAS No: 168428-18-0 Catalog No: AG001Y2M MDL No:
Product Description
Catalog Number:
AG001Y2M
Chemical Name:
5-Pyrimidinecarboxylic acid, 1-ethyl-1,2,3,6-tetrahydro-2,6-dioxo-, ethyl ester
CAS Number:
168428-18-0
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
IUPAC Name:
ethyl 3-ethyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C9H12N2O4/c1-3-11-7(12)6(5-10-9(11)14)8(13)15-4-2/h5H,3-4H2,1-2H3,(H,10,14)
InChI Key:
NOCBPBUSWKOOBH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]c(=O)n(c1=O)CC
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.205g/mol
Monoisotopic Mass:
212.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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