Basic information
- CAS
114020-95-0- Standard SMILES
CCCCCC(CCC(=O)OC)[N+](=O)[O-]- InChIKey
KJMWTTYDQULDNM-UHFFFAOYSA-N- Molecular formula
- C10H19NO4
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.13140809
Names & identifiers
- Preferred name
- Methyl 4-nitrononanoate
- IUPAC
- methyl 4-nitrononanoate
Names & synonyms
Methyl 4-nitrononanoate114020-95-0SCHEMBL6792632DTXSID80442762KJMWTTYDQULDNM-UHFFFAOYSA-N
Database identifiers
- CAS
114020-95-0- PubChem CID
- 10632556
- DTXSID
DTXSID80442762
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 200
Related reactions
6 records
Compound notes
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