Basic information
- Standard SMILES
COC(=O)CCCCCOc1ccc([N+](=O)[O-])cc1- InChIKey
CVEFTEADWHWATB-UHFFFAOYSA-N- Molecular formula
- C13H17NO5
- Average molar mass
- 267.28 g/mol
Names & identifiers
- Preferred name
- 6-(4-Nitrophenoxy)-hexanoic acid methyl ester
- IUPAC
- methyl 6-(4-nitrophenoxy)hexanoate
Names & synonyms
SCHEMBL831490CVEFTEADWHWATB-UHFFFAOYSA-N6-(4-Nitrophenoxy)-hexanoic acid methyl ester6-(4-Nitro-phenoxy)-hexanoic acid methyl ester
Database identifiers
- PubChem CID
- 14650295
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 281
Related reactions
17 records
Linked notes
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