2,3-Dihydro-1,4-benzodioxin-6-carboxylic acid
Properties
- Molecular formula
- C9H8O4
- Molar mass
- 180.16 g/mol
- Exact mass
- 180.0423 Da
- Melting point
- 135–136 °C
- logP
- 1.16Crippen estimate
- Polar surface area
- 55.8 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
Aggregated from 42 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
4442-54-0SMILES
O=C(O)c1ccc2c(c1)OCCO2InChIKey
JWZQJTGQFHIRFQ-UHFFFAOYSA-NInChI
InChI=1S/C9H8O4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 2,3-Dihydro-1,4-benzodioxane-6-carboxylic acid
- 1,4-Benzodioxin-6-carboxylic acid, 2,3-dihydro-
- 1,4-Benzodioxan-6-carboxylic acid
- 1,4-Benzodioxane-6-carboxylic acid
- 3,4-Ethylenedioxybenzoic acid
- 2,3-Dihydrobenzo[1,4]dioxine-6-carboxylic acid
- 2,3-Dihydrobenzo[1,4]dioxin-6-carboxylic acid
- 2,3-Dihydrobenzo[b][1,4]-dioxin-6-carboxylic acid
- 2,3-Dihydrobenzo[b][1,4]dioxine-6-carboxylic acid
Work with 2,3-Dihydro-1,4-benzodioxin-6-carboxylic acid
Similar compounds
1,3-Benzodioxole-5-carboxylic acid94-53-180 % similar
3,4-Diethoxybenzoic acid5409-31-478 % similar
2,3-Dihydrobenzo(b)furan-5-carboxylic acid76429-73-768 % similar
3-Ethoxy-4-methoxybenzoic acid2651-55-065 % similar
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanone2879-20-159 % similar
Veratric acid93-07-259 % similar
4-[3,4-(Ethylenedioxy)phenyl]-4-oxobutyric acid54557-81-258 % similar
2-Bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one4629-54-357 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.