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Basic information
- CAS
60595-60-0- Standard SMILES
Cc1cc(=O)c2c(C)ccc(C)c2o1- InChIKey
KJRCVOWXLZJQKW-UHFFFAOYSA-N- Molecular formula
- C12H12O2
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.08372962
Names & identifiers
- Preferred name
- 2,5,8-Trimethyl-4H-1-benzopyran-4-one
- IUPAC
- 2,5,8-trimethylchromen-4-one
- English name
- 2,5,8-Trimethyl-4H-1-benzopyran-4-one
- Molecular formula
- C12H12O2
- Molecular weight
- 188.22
Names & synonyms
Cromodil2,5,8-Trimethyl-4H-1-benzopyran-4-one2,5,8-TrimethylchromoneBRN 01462424H-1-BENZOPYRAN-4-ONE, 2,5,8-TRIMETHYL-DTXSID609760354-17-00-05117 (Beilstein Handbook Reference)RefChem:247066DTXCID90140341660595-60-0DB-302428
Database identifiers
- CAS
60595-60-0- PubChem CID
- 43366
- DTXSID
DTXSID60976035- Nikkaji
- J132.097A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 81 °C · 81 °C
- Boiling point
- 311.5 · 311.5±42.0 °C(Predicted)
- Density
- 1.122 · 1.122±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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