1,4-Benzodioxane-2-carboxylic acid
Properties
- Molecular formula
- C9H8O4
- Molar mass
- 180.16 g/mol
- Exact mass
- 180.0423 Da
- Melting point
- 116–117 °C
- logP
- 0.91Crippen estimate
- Polar surface area
- 55.8 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Identifiers
CAS number
3663-80-7SMILES
O=C(O)C1COc2ccccc2O1InChIKey
HMBHAQMOBKLWRX-UHFFFAOYSA-NInChI
InChI=1S/C9H8O4/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-
- 1,4-Benzodioxan-2-carboxylic acid
- 2,3-Dihydro-1,4-benzodioxin-2-carboxylic acid
- RX 811056
- (±)-1,4-Benzodioxan-2-carboxylic acid
- 2,3-Dihydro-1,4-benzodioxine-2-carboxylic acid
- 2,3-Dihydrobenzo[b][1,4]dioxine-2-carboxylic acid
- 2,3-Dihydro-1,4-benzodioxine-3-carboxylic acid
Work with 1,4-Benzodioxane-2-carboxylic acid
Similar compounds
1,4-Benzodioxane-2-carboxylic acid34385-93-8100 % similar
2,3-Dihydrobenzofuran-2-carboxylic acid1914-60-961 % similar
1-[(2,3-Dihydro-1,4-benzodioxin-2-yl)carbonyl]piperazine70918-00-251 % similar
1-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazine hydrochloride70918-74-048 % similar
2-Phenoxybutanoic acid13794-14-448 % similar
2,3-Dihydro-1,4-benzodioxin-2-methanol3663-82-946 % similar
Xanthene-9-carboxylic acid82-07-545 % similar
1,2-Phenylenedioxydiacetic acid5411-14-344 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds