Indole-2-carboxylic acid
Properties
- Molecular formula
- C9H7NO2
- Molar mass
- 161.16 g/mol
- Exact mass
- 161.0477 Da
- Melting point
- 205–208 °C
- logP
- 1.87Crippen estimate
- Polar surface area
- 53.1 Ų
- H-bond donors / acceptors
- 2 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed83.3% of notifiers
- H312 Harmful in contact with skin83.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1477-50-5SMILES
O=C(O)c1cc2ccccc2[nH]1InChIKey
HCUARRIEZVDMPT-UHFFFAOYSA-NInChI
InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 1H-Indole-2-carboxylic acid
- 2-Carboxyindole
- NSC 16598
- 2-Indolylformic acid
Work with Indole-2-carboxylic acid
Similar compounds
Indole-2,5-dicarboxylic acid117140-77-965 % similar
5-Hydroxyindole-2-carboxylic acid21598-06-163 % similar
5-Methylindole-2-carboxylic acid10241-97-161 % similar
5-Chloro-1H-indole-2-carboxylic acid10517-21-261 % similar
1,4-Dihydro-4-oxoquinoline-2-carboxylic acid13593-94-761 % similar
5-Amino-1H-indole-2-carboxylic acid152213-40-661 % similar
6-Bromo-1H-indole-2-carboxylic acid16732-65-361 % similar
6-Chloro-1H-indole-2-carboxylic acid16732-75-561 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.