(2S)-5-Oxooxolane-2-carboxylic acid
Properties
- Molecular formula
- C5H6O4
- Molar mass
- 130.10 g/mol
- Exact mass
- 130.0266 Da
- logP
- -0.22Crippen estimate
- Polar surface area
- 63.6 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
- Stereocentres
- Sin SMILES atom order
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 41 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
21461-84-7SMILES
C1CC(=O)O[C@@H]1C(=O)OInChIKey
QVADRSWDTZDDGR-VKHMYHEASA-NInChI
InChI=1S/C5H6O4/c6-4-2-1-3(9-4)5(7)8/h3H,1-2H2,(H,7,8)/t3-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (S)-(+)-5-Oxotetrahydrofuran-2-carboxylic acid
Work with (2S)-5-Oxooxolane-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
L-Glutamic acid 5-cyclohexyl ester112471-82-649 % similar
Oxetane-2-carboxylic acid864373-47-748 % similar
Tetrahydro-2-furoic acid16874-33-245 % similar
(S)-5-Hydroxymethyldihydrofuran-2-one32780-06-645 % similar
(R)-(+)-2-Tetrahydrofuroic acid87392-05-045 % similar
(2S)-Tetrahydro-2-furancarboxylic acid87392-07-245 % similar
5-Methyl hydrogen L-glutamate1499-55-444 % similar
Tetrahydropyran-2-carboxylic acid51673-83-744 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.