2D Chemical StructureDatabase ID 13965008
No renderable structure data available
SMILES
O(C(C1C([H])=C([H])C(C#C[H])=C([H])C=1[H])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]Structure data verified · Database ID 13965008
Chemical Intermediate
TERT-BUTYL 4-ETHYNYLBENZOATE
CAS 111291-97-5Product ID 761947
| Intermediates | TERT-BUTYL 4-ETHYNYLBENZOATE |
|---|---|
| IUPAC Name | — |
| CAS Number | 111291-97-5 |
| Database ID | 13965008 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
TERT-BUTYL 4-ETHYNYLBENZOATE
TERT-BUTYL 4-ETHYNYLBENZOATE (CAS 111291-97-5) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number111291-97-5
Database ID13965008
Molecular Formula—
Updated2025-04-09
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 13965008
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- O(C(C1C([H])=C([H])C(C#C[H])=C([H])C=1[H])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
- InChI
- —
Safety Notice
Safety & Notes
For professional research and industrial use only. Review the supplier safety data sheet before handling.
PubChem References
Public References
These sources are listed in the compound's public database record.
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CAS 111291-97-5TERT-BUTYL 4-ETHYNYLBENZOATE
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