Basic information
- Standard SMILES
NCC1CCc2ccc([N+](=O)[O-])cc2C(O)C1- InChIKey
UXFWLAXBNBMWDG-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
Names & identifiers
- Preferred name
- 3-nitro-7-aminomethyl-6,7,8,9-tetrahydro [5H] benzocycloheptene-5-ol
- IUPAC
- 7-(aminomethyl)-3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
Names & synonyms
UXFWLAXBNBMWDG-UHFFFAOYSA-N3-nitro-7-aminomethyl-6,7,8,9-tetrahydro [5H] benzocycloheptene-5-ol
Database identifiers
- PubChem CID
- 54377027
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Related reactions
3 records
Compound notes
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