Basic information
- CAS
19757-51-8- Standard SMILES
C=C(C)C(C)(O)C(O)c1ccco1- InChIKey
CDESINQQIIYVLV-UHFFFAOYSA-N- Molecular formula
- C10H14O3
- Average molar mass
- 182.22 g/mol
Names & identifiers
- Preferred name
- 1-(2-Furyl)-2,3-dimethyl-3-butene-1,2-diol
- IUPAC
- 1-(furan-2-yl)-2,3-dimethylbut-3-ene-1,2-diol
- English name
- 1-(2-Furyl)-2,3-dimethyl-3-butene-1,2-diol
- Molecular formula
- C10H14O3
- Molecular weight
- 182.22
Names & synonyms
1-(2-Furyl)-2,3-dimethyl-3-butene-1,2-diol1-(furan-2-yl)-2,3-dimethylbut-3-ene-1,2-diol19757-51-83-Butene-1,2-diol, 1-(2-furyl)-2,3-dimethyl-CDESINQQIIYVLV-UHFFFAOYSA-N1-(2-Furyl)-2,3-dimethyl-3-butene-1,2-diol #3-Butene-1,2-diol, 1-(2-furanyl)-2,3-dimethyl-
Database identifiers
- CAS
19757-51-8- Nikkaji
- J113.694A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 80 · 80-84 °C(Press: 0.1 Torr)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- pka
- 13.59 · 13.59±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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