1,3-Benzodioxole-4-carboxylic acid
Properties
- Molecular formula
- C8H6O4
- Molar mass
- 166.13 g/mol
- Exact mass
- 166.0266 Da
- logP
- 1.11Crippen estimate
- Polar surface area
- 55.8 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation50% of notifiers
- H318 Causes serious eye damage50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
5768-39-8SMILES
C1OC2=CC=CC(=C2O1)C(=O)OInChIKey
DBUAYOWCIUQXQW-UHFFFAOYSA-NInChI
InChI=1S/C8H6O4/c9-8(10)5-2-1-3-6-7(5)12-4-11-6/h1-3H,4H2,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 1,3-Dioxaindane-4-carboxylic acid
Work with 1,3-Benzodioxole-4-carboxylic acid
Similar compounds
1,4-Benzodioxan-5-carboxylic acid4442-53-976 % similar
2,3-Dihydrobenzofuran-7-carboxylic acid35700-40-459 % similar
2,3-Dimethoxybenzoic acid1521-38-657 % similar
2-Ethoxybenzoic acid134-11-253 % similar
2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid126120-85-253 % similar
5-Bromobenzo(1,3)dioxole-4-carboxylic acid72744-56-053 % similar
2-(Benzyloxy)benzoic acid14389-86-751 % similar
2-(Carboxymethoxy)benzoic acid635-53-051 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.