Basic information
- CAS
40496-53-5- Standard SMILES
O=C1CC(CO)Cc2c1[nH]c1ccccc21- InChIKey
IRHCNQPYKGUVAL-UHFFFAOYSA-N- Molecular formula
- C13H13NO2
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.09462866
Names & identifiers
- Preferred name
- 3-(Hydroxymethyl)-2,3,4,9-tetrahydro-1h-carbazol-1-one
- IUPAC
- 3-(hydroxymethyl)-2,3,4,9-tetrahydrocarbazol-1-one
Names & synonyms
40496-53-53-(hydroxymethyl)-2,3,4,9-tetrahydro-1h-carbazol-1-oneNSC149882DTXSID70302260NSC-149882
Database identifiers
- CAS
40496-53-5- PubChem CID
- 288609
- DTXSID
DTXSID70302260
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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