Basic information
- Standard SMILES
O=CCCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]- InChIKey
FZVJLCFVPHYXPJ-UHFFFAOYSA-N- Molecular formula
- C4H5N3O7
- Average molar mass
- 207.1 g/mol
- Monoisotopic mass
- 207.01274951
Names & identifiers
- Preferred name
- 4,4,4-Trinitrobutyraldehyde
- IUPAC
- 4,4,4-trinitrobutanal
Names & synonyms
4,4,4-trinitrobutaldehyde4,4,4-TrinitrobutyraldehydeSCHEMBL9452771SCHEMBL94527744,4,4-trinitrobutyric aldehydeFZVJLCFVPHYXPJ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 14401765
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Related reactions
6 records
Compound notes
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