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89073-80-3 | 2,4(1H,3H)-Pyrimidinedione, 5-(acetyloxy)dihydro-6-methyl-, trans-
CAS No: 89073-80-3 Catalog No: AG0040OF MDL No:
Product Description
Catalog Number:
AG0040OF
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-(acetyloxy)dihydro-6-methyl-, trans-
CAS Number:
89073-80-3
Molecular Formula:
C7H10N2O4
Molecular Weight:
186.1653
IUPAC Name:
(4-methyl-2,6-dioxo-1,3-diazinan-5-yl) acetate
InChI:
InChI=1S/C7H10N2O4/c1-3-5(13-4(2)10)6(11)9-7(12)8-3/h3,5H,1-2H3,(H2,8,9,11,12)
InChI Key:
MVTWLTPPRYRHEA-UHFFFAOYSA-N
SMILES:
O=C1N[C@@H](C)[C@@H](C(=O)N1)OC(=O)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.167g/mol
Monoisotopic Mass:
186.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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