3,4-Dihydroxy-3-cyclobutene-1,2-dione - CAS 2892-51-5

Catalog:	BB020014
Product Name:	3,4-Dihydroxy-3-cyclobutene-1,2-dione
CAS:	2892-51-5
Synonyms:	3,4-dihydroxycyclobut-3-ene-1,2-dione

Technical Data

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Computed Properties

IUPAC Name:	3,4-dihydroxycyclobut-3-ene-1,2-dione
Description:	3,4-Dihydroxy-3-cyclobutene-1,2-dione (CAS# 2892-51-5) is a useful research chemical.
Molecular Weight:	114.06
Molecular Formula:	C4H2O4
Canonical SMILES:	C1(=C(C(=O)C1=O)O)O
InChI:	InChI=1S/C4H2O4/c5-1-2(6)4(8)3(1)7/h5-6H
InChI Key:	PWEBUXCTKOWPCW-UHFFFAOYSA-N
Flash Point:	190 °C(374.0 °F)
Purity:	99 %
Appearance:	Solid
MDL:	MFCD00001334
LogP:	-0.53420

Publication Number	Title	Priority Date
CN-113380337-A	Organic fluorescent small molecule optical property prediction method based on deep neural network	20210608
CN-113354956-A	Near-infrared squarylium dye connected with oxygen ether chain, and preparation and application thereof	20210531
CN-113324960-A	Antibody fluorescent probe, preparation method thereof and application thereof in visual cell detection	20210528
CN-113308131-A	Carboxyl modified near-infrared squaric acid dye and preparation method and application thereof	20210526
CN-113144912-A	Preparation method of high-flux covalent organic framework nanofiltration membrane based on TFC structure	20210421

PMID	Publication Date	Title	Journal
24077527	20131101	Squaric acid/4-aminoquinoline conjugates: novel potent antiplasmodial agents	European journal of medicinal chemistry
22972052	20120912	Topical treatments for cutaneous warts	The Cochrane database of systematic reviews
22613120	20120901	Squarylium-based chromogenic anion sensors	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22801734	20120828	Electrochemical properties of crystallized dilithium squarate: insight from dispersion-corrected density functional theory	Physical chemistry chemical physics : PCCP
22720875	20120720	Selective 'one-pot' synthesis of functionalized cyclopentenones	The Journal of organic chemistry

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GHS Hazard Statement:	H315 (72.41%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.99530854
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	113.99530854
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7