Basic information
- CAS
129207-22-3- Standard SMILES
c1ccc(Oc2ccc3c(c2)COCO3)cc1- InChIKey
YVARXIPTKFPWRE-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Names & identifiers
- Preferred name
- 6-phenoxy-4H-1,3-benzodioxine
- IUPAC
- 6-phenoxy-4H-1,3-benzodioxine
- English name
- 4H-1,3-Benzodioxin,6-phenoxy-(9CI)
- Molecular formula
- C14H12O3
- Molecular weight
- 228.24
Names & synonyms
4H-1,3-Benzodioxin, 6-phenoxy-4H-1,3-Benzodioxin,6-phenoxy-(9CI)
Database identifiers
- CAS
129207-22-3- PubChem CID
- 45117128
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 363.6 · 363.6±42.0 °C(Predicted)
- Density
- 1.208 · 1.208±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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