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15765-13-6 | 2,4(1H,3H)-Pyrimidinedione, 1-[2-(acetyloxy)ethyl]-
CAS No: 15765-13-6 Catalog No: AG001PL9 MDL No:
Product Description
Catalog Number:
AG001PL9
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-[2-(acetyloxy)ethyl]-
CAS Number:
15765-13-6
Molecular Formula:
C8H10N2O4
Molecular Weight:
198.1760
IUPAC Name:
2-(2,4-dioxopyrimidin-1-yl)ethyl acetate
InChI:
InChI=1S/C8H10N2O4/c1-6(11)14-5-4-10-3-2-7(12)9-8(10)13/h2-3H,4-5H2,1H3,(H,9,12,13)
InChI Key:
SNXQZJMMWGGAEQ-UHFFFAOYSA-N
SMILES:
CC(=O)OCCn1ccc(=O)[nH]c1=O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.178g/mol
Monoisotopic Mass:
198.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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