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Home > Nitro Compounds > 16813-36-8
16813-36-8 | 2,4(1H,3H)-Pyrimidinedione, dihydro-1-nitroso-
CAS No: 16813-36-8 Catalog No: AG001XUR MDL No:
Product Description
Catalog Number:
AG001XUR
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, dihydro-1-nitroso-
CAS Number:
16813-36-8
Molecular Formula:
C4H5N3O3
Molecular Weight:
143.1008
IUPAC Name:
1-nitroso-1,3-diazinane-2,4-dione
InChI:
InChI=1S/C4H5N3O3/c8-3-1-2-7(6-10)4(9)5-3/h1-2H2,(H,5,8,9)
InChI Key:
NTUQAPWIPIIWLT-UHFFFAOYSA-N
SMILES:
O=NN1CCC(=O)NC1=O
UNII:
3MY7H215CV
NSC Number:
90999
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.033g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.102g/mol
Monoisotopic Mass:
143.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
Literature
| Title | Journal |
|---|---|
| Chalcone isomerase gene from rice (Oryza sativa) and barley (Hordeum vulgare): physical, genetic and mutation mapping. | Gene 20030102 |
| Induction of hyperplastic liver nodules in Wistar and MRC-Wistar rats by phenobarbital and the liver carcinogens acetoxime, 1-nitroso-5,6-dihydrouracil and 3-nitroso-2-oxazolidinone. | Cancer letters 19880815 |
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