Basic information
- CAS
74038-94-1- Standard SMILES
Cc1cc(C)c2[nH]cc(CC(=O)O)c2c1- InChIKey
XJCBMZMISBSKFP-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- 5,7-Dimethyl-3-indoleacetic acid
- IUPAC
- 2-(5,7-dimethyl-1H-indol-3-yl)acetic acid
- English name
- 1H-Indole-3-aceticacid,5,7-dimethyl-(9CI)
- Molecular formula
- C12H13NO2
- Molecular weight
- 203.24
Names & synonyms
5,7-Dimethyl-3-indoleacetic acid3-INDOLEACETIC ACID, 5,7-DIMETHYL-1H-Indole-3-acetic acid, 5,7-dimethyl-NSC 22867BRN 03968193345D2HUV0NSC-22867UNII-3345D2HUV0DTXSID602249075-22-03-00152 (Beilstein Handbook Reference)INDOLE-3-ACETIC ACID, 5,7-DIMETHYL-RefChem:101393
Show more names
1H-Indole-3-aceticacid,5,7-dimethyl-(9CI)
DTXCID501473981H-Indole-3-acetic acid, 5,7-dimethyl-(9CI)74038-94-12-(5,7-dimethyl-1H-indol-3-yl)acetic acidNSC228671H-Indole-3-acetic acid,7-dimethyl-(5,7-DIMETHYL-1H-INDOL-3-YL)ACETIC ACID
Database identifiers
- CAS
74038-94-1- PubChem CID
- 52897
- DTXSID
DTXSID60224907- UNII
- 3345D2HUV0
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- FDA UNII
- 3345 D2HUV0 · 3345D2HUV0
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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