Basic information
- CAS
6906-88-3- Standard SMILES
C=C(C)C1Cc2cc(C(C)=O)c(O)cc2O1- InChIKey
FHJSLVLVJPGFRY-UHFFFAOYSA-N- Molecular formula
- C13H14O3
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.0942943
Names & identifiers
- Preferred name
- 1-(2,3-Dihydro-6-hydroxy-2-(1-methylethenyl)-5-benzofuranyl)ethanone
- IUPAC
- 1-(6-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone
- English name
- 6-hydroxytremetone
- Molecular formula
- C13H14O3
- Molecular weight
- 218.25
Names & synonyms
6906-88-31-[2,3-Dihydro-6-hydroxy-2-(1-methylethenyl)-5-benzofuranyl]ethanone1-(2,3-Dihydro-6-hydroxy-2-(1-methylethenyl)-5-benzofuranyl)ethanoneRefChem:2227895-Acetyl-6-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran1-[6-Hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethan-1-oneMEGxp0_001564SCHEMBL17728865DTXSID3011589281-(6-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran-5-yl)ethanone6-hydroxytremetoneEthanone, 1-[2,3-dihydro-6-hydroxy-2-(1-methylethenyl)-5-benzofuranyl]-
Database identifiers
- CAS
6906-88-3- PubChem CID
- 455702
- DTXSID
DTXSID301158928- Nikkaji
- J167.366A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 45 · 45-48 °C
- Boiling point
- 370.1 · 370.1±42.0 °C(Predicted)
- Density
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- pka
- 10.05 · 10.05±0.40(Predicted)
Chemistry & industry
Suppliers1 total
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Additional notes
DefinitionChEBI: 6-Hydroxytremetone is a member of benzofurans.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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