Basic information
- Standard SMILES
COc1cc(C(=O)OCCCCO[N+](=O)[O-])ccc1O- InChIKey
ASZLNERHQCGUGE-UHFFFAOYSA-N- Molecular formula
- C12H15NO7
- Average molar mass
- 285.25 g/mol
Names & identifiers
- Preferred name
- 4-(Nitrooxy)butyl 4-hydroxy-3-methoxybenzoate
- IUPAC
- 4-nitrooxybutyl 4-hydroxy-3-methoxybenzoate
Names & synonyms
SCHEMBL1830326ASZLNERHQCGUGE-UHFFFAOYSA-N4-(Nitrooxy)butyl 4-hydroxy-3-methoxybenzoate
Database identifiers
- PubChem CID
- 59407355
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
Related reactions
3 records
Compound notes
Loading…