Basic information
- CAS
105702-49-6- Standard SMILES
Cn1cccc1-c1cc2ccccc2c(O)c1O- InChIKey
CAFSAEBOXGIFMD-UHFFFAOYSA-N- Molecular formula
- C15H13NO2
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.09462866
Names & identifiers
- Preferred name
- 3-(1-Methyl-1H-pyrrol-2-yl)naphthalene-1,2-diol
- IUPAC
- 3-(1-methylpyrrol-2-yl)naphthalene-1,2-diol
Names & synonyms
3-(1-Methyl-1H-pyrrol-2-yl)naphthalene-1,2-diol105702-49-6DTXSID30545318
Database identifiers
- CAS
105702-49-6- PubChem CID
- 13626565
- DTXSID
DTXSID30545318
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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