Croconic acid

C5H2O5CAS 488-86-8142.07 g/mol

Open in Covalent MOL file
OOHOHOO
Phenol

Properties

Molecular formula
C5H2O5
Molar mass
142.07 g/mol
Exact mass
141.9902 Da
Melting point
150 °C
logP
-1.95Crippen estimate
Polar surface area
91.7 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
488-86-8
SMILES
O=c1c(O)c(O)c(=O)c1=O
InChIKey
RBSLJAJQOVYTRQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H2O5/c6-1-2(7)4(9)5(10)3(1)8/h6-7H

Weigh it out

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Names and synonyms

2 names
  • 4-Cyclopentene-1,2,3-trione, 4,5-dihydroxy-
  • 4,5-Dihydroxy-4-cyclopentene-1,2,3-trione

Work with Croconic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Squaric acid2892-51-592 % similar Benzenehexol608-80-038 % similar 3,4-Dimethoxy-3-cyclobutene-1,2-dione5222-73-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia