2-(1,2-Dimethyl-1h-indol-3-yl)propanoic acid
Basic information
- CAS
72228-43-4- Standard SMILES
Cc1c(C(C)C(=O)O)c2ccccc2n1C- InChIKey
HJMMPTYUZJVSMF-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Names & identifiers
- Preferred name
- 2-(1,2-Dimethyl-1h-indol-3-yl)propanoic acid
- IUPAC
- 2-(1,2-dimethylindol-3-yl)propanoic acid
Names & synonyms
2-(1,2-dimethyl-1h-indol-3-yl)propanoic acid72228-43-4NSC106227DTXSID30295907NSC-106227EN300-1856937
Database identifiers
- CAS
72228-43-4- PubChem CID
- 267111
- DTXSID
DTXSID30295907
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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