5-acetyl-1H-indole-2-carboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
31380-57-1- Standard SMILES
CC(=O)c1ccc2[nH]c(C(=O)O)cc2c1- InChIKey
CCPPDGXVPFOREY-UHFFFAOYSA-N- Molecular formula
- C11H9NO3
- Average molar mass
- 203.19 g/mol
- Monoisotopic mass
- 203.05824315
Names & identifiers
- Preferred name
- 5-acetyl-1H-indole-2-carboxylic acid
- IUPAC
- 5-acetyl-1H-indole-2-carboxylic acid
- English name
- 5-ACETYL-2-INDOLE CARBOXYLIC ACID
- Molecular formula
- C11H9NO3
- Molecular weight
- 203.19
Names & synonyms
5-acetyl-1H-indole-2-carboxylic acid31380-57-11H-Indole-2-carboxylic acid, 5-acetyl-DTXSID40547227MFCD090269515-Acetyl-2-indole carboxylic acid1H-Indole-2-carboxylicacid, 5-acetyl-SCHEMBL1734329CCPPDGXVPFOREY-UHFFFAOYSA-NALBB-012262STK897780AKOS005638965
Show more names
5-ethanoyl-1H-indole-2-carboxylic acid
NCGC00324325-01DB-068452H62360AB01319788-02
Database identifiers
- CAS
31380-57-1- PubChem CID
- 13705809
- DTXSID
DTXSID40547227
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
3 records
Compound notes
Loading…