Squaric acid

C₄H₂O₄CAS 2892-51-5114.06 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₄H₂O₄
Molar mass: 114.06 g/mol
Exact mass: 113.9953 Da
Melting point: 300 °C (decomposes)
logP: -1.31Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation72.1% of notifiers
H317 May cause an allergic skin reaction86.9% of notifiers
H319 Causes serious eye irritation72.1% of notifiers
H335 May cause respiratory irritation70.5% of notifiers

Aggregated from 61 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2892-51-5

SMILES

O=c1c(O)c(O)c1=O

InChIKey

PWEBUXCTKOWPCW-UHFFFAOYSA-N

InChI

InChI=1S/C4H2O4/c5-1-2(6)4(8)3(1)7/h5-6H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

3-Cyclobutene-1,2-dione, 3,4-dihydroxy-
Cyclobutenedione, dihydroxy-
3,4-Dihydroxy-3-cyclobutene-1,2-dione
Quadratic acid
1,2-Diketo-3,4-dihydroxycyclobutene
1,2-Dihydroxycyclobutene-3,4-dione
3,4-Dihydroxycyclobutene-1,2-dione
1,2-Dihydroxy-1-cyclobutene-3,4-dione
NSC 125692
NSC 624671
3,4-Dioxocyclobut-1-ene-1,2-diol

Work with Squaric 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

Croconic acid488-86-892 % similar Benzenehexol608-80-042 % similar 3,4-Dimethoxy-3-cyclobutene-1,2-dione5222-73-132 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Acetylenedicarboxylic acid142-45-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia