2-Methyl-4-nitrohexan-3-ol
Basic information
- CAS
20570-71-2- Standard SMILES
CCC(C(O)C(C)C)[N+](=O)[O-]- InChIKey
WTRFXBIPCREZQA-UHFFFAOYSA-N- Molecular formula
- C7H15NO3
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.10519334
Names & identifiers
- Preferred name
- 2-Methyl-4-nitrohexan-3-ol
- IUPAC
- 2-methyl-4-nitrohexan-3-ol
Names & synonyms
2-methyl-4-nitrohexan-3-ol20570-71-23-Hexanol,2-methyl-4-nitro-NSC17690SCHEMBL6341692DTXSID80280621NSC-17690DS-014212
Database identifiers
- CAS
20570-71-2- PubChem CID
- 226828
- DTXSID
DTXSID80280621
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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