4-Isocyanatobut-1-ene

Base Information

• Chemical Name: 4-Isocyanatobut-1-ene
• CAS No.: 52114-85-9
• Molecular Formula: C₅H₇NO
• Molecular Weight: 97.1167
• European Community (EC) Number: 838-820-3
• Nikkaji Number: J431.520K

Synonyms:4-isocyanatobut-1-ene;52114-85-9;3-Butenyl isocyanate;EN300-171952

Chemical Property of 4-Isocyanatobut-1-ene

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 97.052763847
• Heavy Atom Count: 7
• Complexity: 92.3

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• Canonical SMILES: C=CCCN=C=O

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