Basic information
- CAS
6642-47-3- Standard SMILES
Cn1cc(Cc2ccccc2C(=O)O)c2ccccc21- InChIKey
NDRYPZXIXNTUEZ-UHFFFAOYSA-N- Molecular formula
- C17H15NO2
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.11027872
Names & identifiers
- Preferred name
- 2-[(1-Methyl-1h-indol-3-yl)methyl]benzoic acid
- IUPAC
- 2-[(1-methylindol-3-yl)methyl]benzoic acid
Names & synonyms
6642-47-32-[(1-methyl-1h-indol-3-yl)methyl]benzoic acid2-[(1-methylindol-3-yl)methyl]benzoic acidNSC47422SCHEMBL31388702DTXSID80286764NSC-47422AKOS040767444
Database identifiers
- CAS
6642-47-3- PubChem CID
- 240754
- DTXSID
DTXSID80286764
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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