6-Methyl-6-nitroheptan-2-one
Basic information
- CAS
142963-25-5- Standard SMILES
CC(=O)CCCC(C)(C)[N+](=O)[O-]- InChIKey
YDDRSEAXBFZBSN-UHFFFAOYSA-N- Molecular formula
- C8H15NO3
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.10519334
Names & identifiers
- Preferred name
- 6-Methyl-6-nitroheptan-2-one
- IUPAC
- 6-methyl-6-nitroheptan-2-one
- English name
- 6-Methyl-6-nitro-2-heptanone
- Molecular weight
- 0
Names & synonyms
6-Methyl-6-nitroheptan-2-one142963-25-56-Methyl-6-nitro-2-heptanoneSCHEMBL31512391SCHEMBL31512392DTXSID90336961YDDRSEAXBFZBSN-UHFFFAOYSA-N6-Methyl-6-nitro-2-heptanone #
Database identifiers
- CAS
142963-25-5- PubChem CID
- 537587
- DTXSID
DTXSID90336961
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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