Basic information
- Standard SMILES
CC(O)C#CC=Cc1ccccc1- InChIKey
NUFGHMWERWMUQT-UHFFFAOYSA-N- Molecular formula
- C12H12O
- Average molar mass
- 172.22 g/mol
Names & identifiers
- Preferred name
- Methylphenylvinylethynylcarbinol
- IUPAC
- 6-phenylhex-5-en-3-yn-2-ol
Names & synonyms
methylphenylvinylethynylcarbinol
Database identifiers
- PubChem CID
- 72998653
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Related reactions
2 records
Compound notes
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