4-Acetyl-3-phenyl-1h-isochromen-1-one
Basic information
- CAS
118520-80-2- Standard SMILES
CC(=O)c1c(-c2ccccc2)oc(=O)c2ccccc12- InChIKey
HHBKSVMBZCQDGK-UHFFFAOYSA-N- Molecular formula
- C17H12O3
- Average molar mass
- 264.27 g/mol
- Monoisotopic mass
- 264.07864424
Names & identifiers
- Preferred name
- 4-Acetyl-3-phenyl-1h-isochromen-1-one
- IUPAC
- 4-acetyl-3-phenylisochromen-1-one
Names & synonyms
4-acetyl-3-phenyl-1h-isochromen-1-one118520-80-24-acetyl-3-phenylisochromen-1-oneNSC7250124-acetyl-3-phenylisocoumarinSCHEMBL6827283DTXSID70328127NSC-7250124-Acetyl-3-phenyl-1H-2-benzopyran-1-oneDB-166904
Database identifiers
- CAS
118520-80-2- PubChem CID
- 406733
- DTXSID
DTXSID70328127- Nikkaji
- J1.879.986C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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