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Home > Nitro Compounds > 15961-83-8
15961-83-8 | 2,4(1H,3H)-Pyrimidinedione, 1-(2,2-diethoxyethyl)-5-nitro-
CAS No: 15961-83-8 Catalog No: AG001R7T MDL No:
Product Description
Catalog Number:
AG001R7T
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-(2,2-diethoxyethyl)-5-nitro-
CAS Number:
15961-83-8
Molecular Formula:
C10H15N3O6
Molecular Weight:
273.2426
IUPAC Name:
1-(2,2-diethoxyethyl)-5-nitropyrimidine-2,4-dione
InChI:
InChI=1S/C10H15N3O6/c1-3-18-8(19-4-2)6-12-5-7(13(16)17)9(14)11-10(12)15/h5,8H,3-4,6H2,1-2H3,(H,11,14,15)
InChI Key:
WGCCSNBLUIWIRK-UHFFFAOYSA-N
SMILES:
CCOC(Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O)OCC
NSC Number:
88355
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.245g/mol
Monoisotopic Mass:
273.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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