Basic information
- CAS
80276-06-8- Standard SMILES
C[NH+]1CCC=C2c3ccccc3C(O)C21.[Cl-]- InChIKey
XBTINXHHNLKIBV-UHFFFAOYSA-N- Molecular formula
- C13H16ClNO
- Average molar mass
- 237.72 g/mol
- Monoisotopic mass
- 237.0920418
Names & identifiers
- Preferred name
- 1H-Indeno(2,1-b)pyridin-9-ol, 2,3,9,9a-tetrahydro-1-methyl-, monohydrochloride
- IUPAC
- 1-methyl-2,3,9,9a-tetrahydro-1H-indeno[2,3-b]pyridin-1-ium-9-ol chloride
Names & synonyms
1-Methyl-9-hydroxy-1,2,3,9a-tetrahydro-1-azafluorene hydrochloride80276-06-82,3,9,9a-Tetrahydro-1-methyl-1H-indeno(2,1-b)pyridin-9-ol hydrochloride1H-INDENO(2,1-b)PYRIDIN-9-OL, 2,3,9,9a-TETRAHYDRO-1-METHYL-, MONOHYDROCHLORIDERefChem:238629
Database identifiers
- CAS
80276-06-8- PubChem CID
- 54552
Properties
Computed structural properties
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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