3-Methyl-4-bromo-2-butenoic acid

Base Information

• Chemical Name: 3-Methyl-4-bromo-2-butenoic acid
• CAS No.: 19041-16-8
• Molecular Formula: C5H7BrO2
• Molecular Weight: 179.013
• NSC Number: 246207
• DSSTox Substance ID: DTXSID401287120
• Nikkaji Number: J3.152.360E
• Mol file: 19041-16-8.mol

Synonyms:NSC246207;SCHEMBL349279;SCHEMBL6655523;DTXSID401287120;3-Methyl-4-bromo-2-butenoic acid;NSC-246207;(2E)-4-Bromo-3-methyl-2-butenoic acid;19041-16-8;10295-26-8

Chemical Property of 3-Methyl-4-bromo-2-butenoic acid

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 177.96294
• Heavy Atom Count: 8
• Complexity: 118

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC(=O)O)CBr
• Isomeric SMILES: C/C(=C\C(=O)O)/CBr