1H-Benzo[g]indole-2-carboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
36193-80-3- Standard SMILES
O=C(O)c1cc2ccc3ccccc3c2[nH]1- InChIKey
BSJDLFRUFRONOR-UHFFFAOYSA-N- Molecular formula
- C13H9NO2
- Average molar mass
- 211.22 g/mol
- Monoisotopic mass
- 211.06332853
Names & identifiers
- Preferred name
- 1H-Benzo[g]indole-2-carboxylic acid
- IUPAC
- 1H-benzo[g]indole-2-carboxylic acid
- English name
- 1H-BENZO[G]INDOLE-2-CARBOXYLIC ACID
- Molecular formula
- C13H9NO2
- Molecular weight
- 211.22
Names & synonyms
1H-Benzo[g]indole-2-carboxylic acid36193-80-3benzo[g]indole-2-carboxylic acidMLS000070970benzindolecarboxylicMFCD00458793BAS 02230778Oprea1_147754SCHEMBL8985864benz[g]indole-2-carboxylic acidCHEMBL1577084SCHEMBL29513389
Show more names
1H-Benz[g]indole-2-carboxylic acid
DTXSID40349405BSJDLFRUFRONOR-UHFFFAOYSA-NHMS2472K221H-Benzo[g]indole-2-carboxylicacidSBB018113AKOS000124726SMR0000111821 H -Benzo[ g ]indole-2-carboxylic acid
Database identifiers
- CAS
36193-80-3- PubChem CID
- 645288
- DTXSID
DTXSID40349405- ChEMBL
CHEMBL1577084
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
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
2 records
Compound notes
Loading…