Basic information
- CAS
32113-67-0- Standard SMILES
CC(=O)C(C(C)=O)[N+](=O)[O-]- InChIKey
TZYZJJBYPMTHJU-UHFFFAOYSA-N- Molecular formula
- C5H7NO4
- Average molar mass
- 145.11 g/mol
- Monoisotopic mass
- 145.0375077
Names & identifiers
- Preferred name
- 2,4-Pentanedione, 3-nitro-
- IUPAC
- 3-nitropentane-2,4-dione
Names & synonyms
2,4-Pentanedione, 3-nitro-32113-67-0DTXSID60330951RefChem:246892DTXCID002820463-nitropentane-2,4-dione3-Nitro-acetylacetonSCHEMBL5404644
Database identifiers
- CAS
32113-67-0- PubChem CID
- 433795
- DTXSID
DTXSID60330951- Nikkaji
- J3.489.441H
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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