Basic information
- CAS
92956-86-0- Standard SMILES
CCCC#CC(O)(C(=O)OC)c1ccccc1- InChIKey
UOZQDUDAKFUKQO-UHFFFAOYSA-N- Molecular formula
- C14H16O3
- Average molar mass
- 232.27 g/mol
- Monoisotopic mass
- 232.10994437
Names & identifiers
- Preferred name
- Methyl 2-hydroxy-2-phenylhept-3-ynoate
- IUPAC
- methyl 2-hydroxy-2-phenylhept-3-ynoate
Names & synonyms
92956-86-0methyl 2-hydroxy-2-phenylhept-3-ynoateNSC116013DTXSID90297442NSC-116013
Database identifiers
- CAS
92956-86-0- PubChem CID
- 271982
- DTXSID
DTXSID90297442
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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