Basic information
- CAS
147009-31-2- Standard SMILES
N#Cc1ccc2[nH]c3c(c2c1)CC(O)CC3- InChIKey
RIFWESKUOISRKX-UHFFFAOYSA-N- Molecular formula
- C13H12N2O
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.09496301
Names & identifiers
- Preferred name
- 2,3,4,9-tetrahydro-3-hydroxy-1H-Carbazole-6-carbonitrile
- IUPAC
- 6-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile
Names & synonyms
2,3,4,9-tetrahydro-3-hydroxy-1H-Carbazole-6-carbonitrile147009-31-2PGC5C3U89CSCHEMBL70298933-Hydroxy-2,3,4,9-tetrahydro-1H-carbazole-6-carbonitrile1H-Carbazole-6-carbonitrile, 2,3,4,9-tetrahydro-3-hydroxy-
Database identifiers
- CAS
147009-31-2- PubChem CID
- 21843676
- UNII
- PGC5C3U89C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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