3-(2,2-Dimethylpropanoyl)chromen-2-one
Basic information
- CAS
60211-71-4- Standard SMILES
CC(C)(C)C(=O)c1cc2ccccc2oc1=O- InChIKey
XNOJFFUJDRUWDJ-UHFFFAOYSA-N- Molecular formula
- C14H14O3
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.0942943
Names & identifiers
- Preferred name
- 3-(2,2-Dimethylpropanoyl)chromen-2-one
- IUPAC
- 3-(2,2-dimethylpropanoyl)chromen-2-one
- English name
- 3-(2,2-dimethylpropanoyl)-2H-chromen-2-one
- Molecular formula
- C14H14O3
- Molecular weight
- 230.25916
Names & synonyms
60211-71-43-(2,2-dimethylpropanoyl)-2H-chromen-2-one2H-1-Benzopyran-2-one, 3-(2,2-dimethyl-1-oxopropyl)-AO-849/150850043-(2,2-dimethylpropanoyl)chromen-2-oneSCHEMBL13404107DTXSID303572963-(2,2-Dimethylpropanoyl)-2H-1-benzopyran-2-one
Database identifiers
- CAS
60211-71-4- PubChem CID
- 849587
- DTXSID
DTXSID30357296- Nikkaji
- J465.539G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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