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Details

Stereochemistry ACHIRAL
Molecular Formula C4H2O4
Molecular Weight 114.0563
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SQUARIC ACID

SMILES

OC1=C(O)C(=O)C1=O

InChI

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

HIDE SMILES / InChI

Molecular Formula C4H2O4
Molecular Weight 114.0563
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Squaric acid is a dibasic organic acid and useful intermediate in a variety of synthetic reactions involving the synthesis of photosensitive squarylium dyes and inhibitors of protein tyrosine phosphatases. Medically, squaric acid dibutyl ester or dibutyl squarate derives from a squaric acid is used for the treatment of warts.

Originator

Approval Year

PubMed

Patents

Substance Class Chemical
Record UNII
SVR9D0VODW
Record Status Validated (UNII)
Record Version