5,6-Dimethoxyindole-2-carboxylic acid
Properties
- Molecular formula
- C11H11NO4
- Molar mass
- 221.21 g/mol
- Exact mass
- 221.0688 Da
- logP
- 1.88Crippen estimate
- Polar surface area
- 71.6 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 5 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
88210-96-2SMILES
COC1=C(C=C2C(=C1)C=C(N2)C(=O)O)OCInChIKey
UZHQHNDRVITJPL-UHFFFAOYSA-NInChI
InChI=1S/C11H11NO4/c1-15-9-4-6-3-8(11(13)14)12-7(6)5-10(9)16-2/h3-5,12H,1-2H3,(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 5,6-Dimethoyxindole-2-carboxylic acid
Work with 5,6-Dimethoxyindole-2-carboxylic acid
Similar compounds
6-Methoxy-1H-indole-2-carboxylic acid16732-73-365 % similar
5-Methoxy-1H-indole-2-carboxylic acid4382-54-165 % similar
4-Methoxy-1H-indole-2-carboxylic acid103260-65-760 % similar
5,6-Difluoroindole-2-carboxylic acid169674-35-556 % similar
5-Methylindole-2-carboxylic acid10241-97-154 % similar
Indole-2,5-dicarboxylic acid117140-77-953 % similar
Indole-2-carboxylic acid1477-50-551 % similar
5-Hydroxyindole-2-carboxylic acid21598-06-151 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.