4-Methoxybut-2-enenitrile

Base Information

• Chemical Name: 4-Methoxybut-2-enenitrile
• CAS No.: 149453-92-9
• Molecular Formula: C₅H₇NO
• Molecular Weight: 97.1167
• European Community (EC) Number: 845-497-2
• DSSTox Substance ID: DTXSID301036314
• Mol file: 149453-92-9.mol

Synonyms:4-methoxybut-2-enenitrile;(E)-4-methoxybut-2-enenitrile;149453-92-9;80355-38-0;DTXSID301036314;4-Methyl-trans-crotonic acid nitrile;54496-86-5;EN300-195856;G48656

Chemical Property of 4-Methoxybut-2-enenitrile

Chemical Property:

• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 97.052763847
• Heavy Atom Count: 7
• Complexity: 97.9

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COCC=CC#N
• Isomeric SMILES: COC/C=C/C#N