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82531-52-0 | 2,4(1H,3H)-Pyrimidinedione, 6-(benzoyloxy)dihydro-5-methyl-5-nitro-
CAS No: 82531-52-0 Catalog No: AG00GDBA MDL No:
Product Description
Catalog Number:
AG00GDBA
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-(benzoyloxy)dihydro-5-methyl-5-nitro-
CAS Number:
82531-52-0
IUPAC Name:
(5-methyl-5-nitro-2,6-dioxo-1,3-diazinan-4-yl) acetate
InChI:
InChI=1S/C7H9N3O6/c1-3(11)16-5-7(2,10(14)15)4(12)8-6(13)9-5/h5H,1-2H3,(H2,8,9,12,13)
InChI Key:
KZBPVYHYAXMPMO-UHFFFAOYSA-N
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.164g/mol
Monoisotopic Mass:
231.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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