3-Butyl-4-methoxycyclobut-3-ene-1,2-dione

Base Information

• Chemical Name: 3-Butyl-4-methoxycyclobut-3-ene-1,2-dione
• CAS No.: 102683-52-3
• Molecular Formula: C9H12O3
• Molecular Weight: 168.19000
• DSSTox Substance ID: DTXSID80546012
• Wikidata: Q82423700

Synonyms:3-Butyl-4-methoxycyclobut-3-ene-1,2-dione;102683-52-3;SCHEMBL7145004;DTXSID80546012;HQYVBGIRQSCYGF-UHFFFAOYSA-N;3-Butyl4-methoxy-3-cyclobutene-1,2-dione;3-Butyl-4-methoxy-3-cyclobutene-1,2-dione

Chemical Property of 3-Butyl-4-methoxycyclobut-3-ene-1,2-dione

Chemical Property:

• Boiling Point: 268.8±50.0 °C(Predicted)
• PSA: 43.37000
• Density: 1.10±0.1 g/cm3(Predicted)
• LogP: 1.22890
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 168.078644241
• Heavy Atom Count: 12
• Complexity: 251

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=C(C(=O)C1=O)OC

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