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 |
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 |
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 |
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 |
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 |
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