Basic information
- CAS
15961-84-9- Standard SMILES
O=CCn1cc([N+](=O)[O-])c(=O)[nH]c1=O- InChIKey
IIJBTCDOPUNMQQ-UHFFFAOYSA-N- Molecular formula
- C6H5N3O5
- Average molar mass
- 199.12 g/mol
- Monoisotopic mass
- 199.02292027
Names & identifiers
- Preferred name
- (5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetaldehyde
- IUPAC
- 2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetaldehyde
Names & synonyms
15961-84-9(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetaldehydeNSC89215DTXSID40293398NSC-89215AKOS013111357
Database identifiers
- CAS
15961-84-9- PubChem CID
- 259342
- DTXSID
DTXSID40293398
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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