1H-Indole-5-carboxylic acid
Properties
- Molecular formula
- C9H7NO2
- Molar mass
- 161.16 g/mol
- Exact mass
- 161.0477 Da
- Melting point
- 208–209 °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 swallowed25% of notifiers
- H312 Harmful in contact with skin25% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation87.5% of notifiers
Aggregated from 8 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
1670-81-1SMILES
O=C(O)c1ccc2[nH]ccc2c1InChIKey
IENZCGNHSIMFJE-UHFFFAOYSA-NInChI
InChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Indole-5-carboxylic acid
- 5-Carboxyindole
Work with 1H-Indole-5-carboxylic acid
Similar compounds
1H-Indole-6-carboxylic acid1670-82-275 % similar
2,6-Naphthalenedicarboxylic acid1141-38-460 % similar
1-(1H-Indol-5-yl)ethanone53330-94-260 % similar
Indole-2,5-dicarboxylic acid117140-77-958 % similar
Methyl indole-5-carboxylate1011-65-055 % similar
2-Hydroxyisonicotinic acid22282-72-054 % similar
2-Naphthoic acid93-09-453 % similar
2-Anthracenecarboxylic acid613-08-151 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.