Basic information
- CAS
6452-54-6- Standard SMILES
C=CCOc1ccccc1OCC(O)CO- InChIKey
WTGJGWJJJOCUQE-UHFFFAOYSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.10485899
Names & identifiers
- Preferred name
- 3-(2-(2-Propen-1-yloxy)phenoxy)-1,2-propanediol
- IUPAC
- 3-(2-prop-2-enoxyphenoxy)propane-1,2-diol
- English name
- 3-[2-(Allyloxy)phenoxy]-1,2-propanediol
- Molecular formula
- C12H16O4
- Molecular weight
- 224.25
Names & synonyms
6452-54-6RefChem:10664613-(2-(2-Propen-1-yloxy)phenoxy)-1,2-propanediol3-(Allyloxyphenoxy)-1,2-propanediolBRN 44422571,2-Propanediol, 3-(o-allyloxyphenoxy)-DTXSID009831473-{2-[(Prop-2-en-1-yl)oxy]phenoxy}propane-1,2-diol3-[2-(Allyloxy)phenoxy]-1,2-propanediol1,2-Propanediol, 3-[2-(2-propen-1-yloxy)phenoxy]-
Database identifiers
- CAS
6452-54-6- PubChem CID
- 110856
- DTXSID
DTXSID00983147- Nikkaji
- J50.751B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 82 °C · 82 °C
- Boiling point
- 325.65 °C · 325.65°C (rough estimate)
- Density
- 1.1697 · 1.1697 (rough estimate)
- refractive index
- 1.513 · 1.5130 (estimate)
- pka
- 13.53 · 13.53±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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