Basic information
- CAS
2674-44-4- Standard SMILES
O=C1OC(c2ccccc2)Cc2ccccc21- InChIKey
JFDUCKCMZFPKND-UHFFFAOYSA-N- Molecular formula
- C15H12O2
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.08372962
Names & identifiers
- Preferred name
- 3-Phenyl-1-oxoisochroman
- IUPAC
- 3-phenyl-3,4-dihydroisochromen-1-one
- English name
- 3-Phenyl-3,4-dihydroisocoumarin
- Molecular formula
- C15H12O2
- Molecular weight
- 224.25
Names & synonyms
2674-44-43-Phenyl-1-oxoisochromanDTXSID00294629RefChem:281695DTXCID10245768JFDUCKCMZFPKND-UHFFFAOYSA-N3-phenylisochroman-1-one3-Phenyl-3,4-dihydroisocoumarin3-phenyl-3,4-dihydro-1H-2-benzopyran-1-one3-phenyl-3,4-dihydroisochromen-1-oneNSC974873,4-Dihydro-3-phenyl-1H-2-benzopyran-1-one
Show more names
1H-2-Benzopyran-1-one, 3,4-dihydro-3-phenyl-
3-phenyl-isochroman-1-oneSCHEMBL6254274SCHEMBL29448273HMS1767E01NSC-97487AKOS001145957AKOS016038077ST50179026
Database identifiers
- CAS
2674-44-4- PubChem CID
- 263144
- DTXSID
DTXSID00294629- Nikkaji
- J513.709H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 90 · 90-91 °C
- Boiling point
- 401.1 · 401.1±44.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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