3-Methylpent-2-enoyl chloride
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Basic information
- CAS
60359-79-7- Standard SMILES
CCC(C)=CC(=O)Cl- InChIKey
LRHQWTOJAIEYTD-UHFFFAOYSA-N- Molecular formula
- C6H9ClO
- Average molar mass
- 132.59 g/mol
- Monoisotopic mass
- 132.0341926
Names & identifiers
- Preferred name
- 3-Methylpent-2-enoyl chloride
- IUPAC
- 3-methylpent-2-enoyl chloride
- English name
- 2-Pentenoyl chloride, 3-Methyl-
- Molecular formula
- C6H9ClO
- Molecular weight
- 132.59
Names & synonyms
SCHEMBL47268342-Pentenoyl chloride, 3-Methyl-
Database identifiers
- CAS
60359-79-7- PubChem CID
- 54048626
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 162.5 · 162.5±9.0 °C(Predicted)
- Density
- 1.023 · 1.023±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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