Basic information
- CAS
92956-87-1- Standard SMILES
COC(=O)C(O)(C#CC(C)C)c1ccccc1- InChIKey
OWFCFQYRLBZOII-UHFFFAOYSA-N- Molecular formula
- C14H16O3
- Average molar mass
- 232.27 g/mol
- Monoisotopic mass
- 232.10994437
Names & identifiers
- Preferred name
- Methyl 2-hydroxy-5-methyl-2-phenylhex-3-ynoate
- IUPAC
- methyl 2-hydroxy-5-methyl-2-phenylhex-3-ynoate
Names & synonyms
92956-87-1methyl 2-hydroxy-5-methyl-2-phenylhex-3-ynoateNSC116008DTXSID00297438NSC-116008
Database identifiers
- CAS
92956-87-1- PubChem CID
- 271978
- DTXSID
DTXSID00297438
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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