3-(1,3-dioxolan-2-yl)-4H-chromen-4-one
Basic information
- CAS
17422-79-6- Standard SMILES
O=c1c(C2OCCO2)coc2ccccc12- InChIKey
ONPUMCQMSIPXEV-UHFFFAOYSA-N- Molecular formula
- C12H10O4
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.0579088
Names & identifiers
- Preferred name
- 3-(1,3-dioxolan-2-yl)-4H-chromen-4-one
- IUPAC
- 3-(1,3-dioxolan-2-yl)chromen-4-one
Names & synonyms
17422-79-63-(1,3-dioxolan-2-yl)-4H-chromen-4-oneZINC00482567Oprea1_581842DTXSID703585853-(1,3-Dioxolan-2-yl)-4H-1-benzopyran-4-oneAK-928/13228038
Database identifiers
- CAS
17422-79-6- PubChem CID
- 902851
- DTXSID
DTXSID70358585- Nikkaji
- J932.867J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 317
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Compound notes
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