(R)-1,4-Benzodioxane-2-carboxylic acid
Properties
- Molecular formula
- C9H8O4
- Molar mass
- 180.16 g/mol
- Exact mass
- 180.0423 Da
- logP
- 0.91Crippen estimate
- Polar surface area
- 55.8 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
- Stereocentres
- Rin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 40 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
70918-53-5SMILES
C1[C@@H](OC2=CC=CC=C2O1)C(=O)OInChIKey
HMBHAQMOBKLWRX-MRVPVSSYSA-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)/t8-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Work with (R)-1,4-Benzodioxane-2-carboxylic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2,3-Dihydrobenzofuran-2-carboxylic acid1914-60-961 % similar
Chromane-2-carboxylic acid51939-71-058 % similar
Ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate4739-94-055 % similar
(S)-1,4-Benzodioxan-2-carboxypiperazine401941-54-651 % similar
N-1,4-Benzodioxane-2-carbonyl piperazine70918-00-251 % similar
1-(1,4-Benzodioxan-2-ylcarbonyl)piperazine hydrochloride70918-74-048 % similar
2-Phenoxybutanoic acid13794-14-448 % similar
2,3-Dihydro-1,4-benzodioxin-2-methanol3663-82-946 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.