Indole-4-carboxylic acid
Properties
- Molecular formula
- C9H7NO2
- Molar mass
- 161.16 g/mol
- Exact mass
- 161.0477 Da
- logP
- 1.87Crippen estimate
- Polar surface area
- 53.1 Ų
- H-bond donors / acceptors
- 2 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.7% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2124-55-2SMILES
C1=CC(=C2C=CNC2=C1)C(=O)OInChIKey
ROGHUJUFCRFUSO-UHFFFAOYSA-NInChI
InChI=1S/C9H7NO2/c11-9(12)7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Indole-4-carboxylic acid
Similar compounds
Indole-3-carboxylic acid771-50-662 % similar
1H-Indazole-4-carboxylic acid677306-38-657 % similar
1H-Indole-7-carboxylic acid1670-83-356 % similar
Methyl 1H-indole-4-carboxylate39830-66-555 % similar
1-Naphthoic acid86-55-553 % similar
1H-Benzoimidazole-4-carboxylic acid46006-36-453 % similar
1H-Pyrrolo[2,3-B]pyridine-4-carboxylic acid479553-01-053 % similar
1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-251 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds