Isocitric acid lactone
Properties
- Molecular formula
- C6H6O6
- Molar mass
- 174.11 g/mol
- Exact mass
- 174.0164 Da
- Melting point
- 162–163 °C
- logP
- -0.91Crippen estimate
- Polar surface area
- 100.9 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.5% 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
4702-32-3SMILES
O=C1CC(C(=O)O)C(C(=O)O)O1InChIKey
UKZDIMBDWHZXOK-UHFFFAOYSA-NInChI
InChI=1S/C6H6O6/c7-3-1-2(5(8)9)4(12-3)6(10)11/h2,4H,1H2,(H,8,9)(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Pentaric acid, 3-carboxy-2,3-dideoxy-, 1,4-lactone
- Isocitric acid, γ-lactone
- 2,3-Furandicarboxylic acid, tetrahydro-5-oxo-
- 1,2,3-Propanetricarboxylic acid, 1-hydroxy-, γ-lactone
- Isocitric lactone
- NSC 95086
- Tetrahydro-5-oxofuran-2,3-dicarboxylic acid
Work with Isocitric acid lactone
Similar compounds
4-Oxo-1,2-cyclopentanedicarboxylic acid1703-61-345 % similar
(±)-trans-1,2-Cyclobutanedicarboxylic acid1124-13-644 % similar
cis-Epoxysuccinate16533-72-544 % similar
Polyepoxysuccinic acid51274-37-444 % similar
1,2,3,4-Butanetetracarboxylic acid1703-58-843 % similar
(2S)-5-Oxooxolane-2-carboxylic acid21461-84-742 % similar
(2R)-Tetrahydro-5-oxo-2-furancarboxylic acid53558-93-342 % similar
(+)-Dibenzoyltartaric acid17026-42-542 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.