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Home > Nitro Compounds > 66968-90-9
66968-90-9 | 5-Ethyl-5-(1-methyl-1-nitroethyl)barbituric acid
CAS No: 66968-90-9 Catalog No: AG00FONS MDL No:
Product Description
Catalog Number:
AG00FONS
Chemical Name:
5-Ethyl-5-(1-methyl-1-nitroethyl)barbituric acid
CAS Number:
66968-90-9
IUPAC Name:
5-ethyl-5-(2-nitropropan-2-yl)-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C9H13N3O5/c1-4-9(8(2,3)12(16)17)5(13)10-7(15)11-6(9)14/h4H2,1-3H3,(H2,10,11,13,14,15)
InChI Key:
QAMTVHWKBPAGTG-UHFFFAOYSA-N
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.086g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.219g/mol
Monoisotopic Mass:
243.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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