Basic information
- Standard SMILES
C=C(C#Cc1ccccc1)OC(C)=O- InChIKey
USCZFXMSUUNFCU-UHFFFAOYSA-N- Molecular formula
- C12H10O2
- Average molar mass
- 186.21 g/mol
Names & identifiers
- Preferred name
- 4-Phenylbut-1-en-3-yn-2-yl acetate
- IUPAC
- 4-phenylbut-1-en-3-yn-2-yl acetate
Names & synonyms
4-phenylbut-1-en-3-yn-2-yl acetateSCHEMBL7026746USCZFXMSUUNFCU-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 15864474
- Nikkaji
- J980.538I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 284
Related reactions
1 records
Compound notes
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