3-Methylcyclobut-2-en-1-one

Base Information

• Chemical Name: 3-Methylcyclobut-2-en-1-one
• CAS No.: 83897-47-6
• Molecular Formula: C5H6O
• Molecular Weight: 82.102
• DSSTox Substance ID: DTXSID10516066
• Nikkaji Number: J2.741.756F
• Wikidata: Q82377296
• Mol file: 83897-47-6.mol

Synonyms:3-Methylcyclobut-2-en-1-one;83897-47-6;DTXSID10516066

Chemical Property of 3-Methylcyclobut-2-en-1-one

Chemical Property:

• PSA: 17.07000
• LogP: 0.90550
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 82.041864811
• Heavy Atom Count: 6
• Complexity: 111

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=O)C1