Basic information
- CAS
3156-07-8- Standard SMILES
CC(=C=O)c1ccccc1- InChIKey
APFRIPBQCVUZNP-UHFFFAOYSA-N- Molecular formula
- C9H8O
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.05751487
Names & identifiers
- Preferred name
- 1-Propen-1-one, 2-phenyl-
- IUPAC
- 2-phenylprop-1-en-1-one
Names & synonyms
2-phenylprop-1-en-1-one1-propen-1-one, 2-phenyl-KETENE,METHYL,PHENYL3156-07-8DTXSID20348496RefChem:235026DTXCID50299568InChI=1/C9H8O/c1-8(7-10)9-5-3-2-4-6-9/h2-6H,1Hmethylphenylketenemethyl phenyl keteneSCHEMBL5828005
Database identifiers
- CAS
3156-07-8- PubChem CID
- 637814
- DTXSID
DTXSID20348496- Nikkaji
- J324.583G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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