Methyl 4-pentynoate
methyl pent-4-ynoate
Also Known As: methyl pent-4-ynoate|Methyl 4-pentynoate|4-pentynoic acid methyl ester|4-Pentynoic acid, methyl ester|methylpent-4-ynoate|methyl 4-pentinoate|pent-4-ynoic acid methyl ester|840-502-4
CAS: 21565-82-2
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05243 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 112.05243 |
| Monoisotopic Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 21565-82-2 |
|---|---|
| SMILES | COC(=O)CCC#C |
| InChIKey | WCSNOLUUFIWIHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (170 patents)
Organic Building Blocks (32 patents)
Organometallic Reagents (2 patents)
Pharmaceutical Intermediates (102 patents)
Polymer Intermediates (1 patents)
Product Overview
Methyl 4-pentynoate (CAS 21565-82-2), with molecular formula C6H8O2 and molecular weight 112.05243 g/mol. IUPAC: methyl pent-4-ynoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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