Basic information
- CAS
155990-64-0- Standard SMILES
CC(=O)C(C)=C[N+](=O)[O-]- InChIKey
HBLOOLAOJAVRTK-UHFFFAOYSA-N- Molecular formula
- C5H7NO3
- Average molar mass
- 129.11 g/mol
- Monoisotopic mass
- 129.04259309
Names & identifiers
- Preferred name
- 3-Methyl-4-nitrobut-3-en-2-one
- IUPAC
- 3-methyl-4-nitrobut-3-en-2-one
- English name
- 3-Buten-2-one, 3-methyl-4-nitro- (9CI)
- Molecular formula
- C5H7NO3
- Molecular weight
- 129.11
Names & synonyms
155990-64-03-Buten-2-one, 3-methyl-4-nitro-DB-2828753-Buten-2-one, 3-methyl-4-nitro- (9CI)
Database identifiers
- CAS
155990-64-0- PubChem CID
- 71435305
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 166
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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