1,4-Benzodioxan-5-carboxylic acid
Properties
- Molecular formula
- C9H8O4
- Molar mass
- 180.16 g/mol
- Exact mass
- 180.0423 Da
- Melting point
- 195.5–196.5 °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 irritation97.7% 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
4442-53-9SMILES
O=C(O)c1cccc2c1OCCO2InChIKey
VCLSWKVAHAJSFL-UHFFFAOYSA-NInChI
InChI=1S/C9H8O4/c10-9(11)6-2-1-3-7-8(6)13-5-4-12-7/h1-3H,4-5H2,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-
- 2,3-Dihydro-1,4-benzodioxin-5-carboxylic acid
- 1,4-Benzodioxane-5-carboxylic acid
- 2,3-Dihydrobenzo[1,4]dioxine-5-carboxylic acid
- 2,3-Dihydro-1,4-benzodioxane-5-carboxylic acid
- 2,3-Dihydrobenzo[b][1,4]dioxine-5-carboxylic acid
Work with 1,4-Benzodioxan-5-carboxylic acid
Similar compounds
1,3-Benzodioxole-4-carboxylic acid5768-39-876 % similar
2,3-Dihydrobenzofuran-7-carboxylic acid35700-40-464 % similar
2-Propoxybenzoic acid2100-31-458 % similar
2-Ethoxybenzoic acid134-11-257 % similar
2,3-Dimethoxybenzoic acid1521-38-657 % similar
2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid126120-85-253 % similar
2-(Benzyloxy)benzoic acid14389-86-751 % similar
2-(Carboxymethoxy)benzoic acid635-53-051 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.