Basic information
- Standard SMILES
CCCCOc1ccc([N+](=O)[O-])c(CO)c1- InChIKey
KZLFSVXOPCOCQD-UHFFFAOYSA-N- Molecular formula
- C11H15NO4
- Average molar mass
- 225.24 g/mol
Names & identifiers
- Preferred name
- 5-(1-Butyloxy)-2-nitrobenzyl alcohol
- IUPAC
- (5-butoxy-2-nitrophenyl)methanol
Names & synonyms
SCHEMBL8631234KZLFSVXOPCOCQD-UHFFFAOYSA-N5-(1-Butyloxy)-2-nitrobenzyl alcohol
Database identifiers
- PubChem CID
- 54021802
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 217
Related reactions
1 records
Compound notes
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