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86944-42-5 | [2-(2-acetamido-6-oxo-3H-pyrimidin-4-yl)-2-oxo-ethyl] acetate
CAS No: 86944-42-5 Catalog No: AG004OAG MDL No:
Product Description
Catalog Number:
AG004OAG
Chemical Name:
[2-(2-acetamido-6-oxo-3H-pyrimidin-4-yl)-2-oxo-ethyl] acetate
CAS Number:
86944-42-5
Molecular Formula:
C10H11N3O5
Molecular Weight:
253.2114
IUPAC Name:
[2-(2-acetamido-6-oxo-1H-pyrimidin-4-yl)-2-oxoethyl] acetate
InChI:
InChI=1S/C10H11N3O5/c1-5(14)11-10-12-7(3-9(17)13-10)8(16)4-18-6(2)15/h3H,4H2,1-2H3,(H2,11,12,13,14,17)
InChI Key:
YBDNEEIZQNENKT-UHFFFAOYSA-N
SMILES:
CC(=O)OCC(=O)c1[nH]c(NC(=O)C)nc(=O)c1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.214g/mol
Monoisotopic Mass:
253.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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