Completing data — usually done within a minute
Basic information
- CAS
2123-71-9- Standard SMILES
CCC(COC(C)=O)[N+](=O)[O-]- InChIKey
RLBLQZQADXRYKU-UHFFFAOYSA-N- Molecular formula
- C6H11NO4
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.06880783
Names & identifiers
- Preferred name
- 2-Nitrobutyl acetate
- IUPAC
- 2-nitrobutyl acetate
Names & synonyms
2-nitrobutyl acetate2123-71-9DTXSID60298946RefChem:264331DTXCID00250083NSC127053SCHEMBL10980259RLBLQZQADXRYKU-UHFFFAOYSA-NAKOS024339159NSC-127053DS-004298
Database identifiers
- CAS
2123-71-9- PubChem CID
- 277972
- DTXSID
DTXSID60298946- Nikkaji
- J1.017.724C
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Related reactions
2 records
Compound notes
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