Basic information
- CAS
102245-67-0- Standard SMILES
O=C(C#CCO)OC(c1ccccc1)c1ccccc1- InChIKey
VBNQBZGMIDCELB-UHFFFAOYSA-N- Molecular formula
- C17H14O3
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.0942943
Names & identifiers
- Preferred name
- Diphenylmethyl 4-hydroxybut-2-ynoate
- IUPAC
- benzhydryl 4-hydroxybut-2-ynoate
Names & synonyms
DTXSID301235083Diphenylmethyl 4-hydroxybut-2-ynoate2-Butynoic acid, 4-hydroxy-, diphenylmethyl ester102245-67-0
Database identifiers
- CAS
102245-67-0- PubChem CID
- 85530343
- DTXSID
DTXSID301235083
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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