Basic information
- CAS
205925-91-3- Standard SMILES
CC(=O)C1(C)OCC(CO)O1- InChIKey
WECNAFMEBZZDKS-UHFFFAOYSA-N- Molecular formula
- C7H12O4
- Average molar mass
- 160.17 g/mol
Names & identifiers
- Preferred name
- 1-[4-(Hydroxymethyl)-2-methyl-1,3-dioxolan-2-yl]ethanone
- IUPAC
- 1-[4-(hydroxymethyl)-2-methyl-1,3-dioxolan-2-yl]ethanone
- English name
- Ethanone, 1-[4-(hydroxymethyl)-2-methyl-1,3-dioxolan-2-yl]- (9CI)
- Molecular formula
- C7H12O4
- Molecular weight
- 160.17
Names & synonyms
205925-91-3DB-276269Ethanone, 1-[4-(hydroxymethyl)-2-methyl-1,3-dioxolan-2-yl]-Ethanone, 1-[4-(hydroxymethyl)-2-methyl-1,3-dioxolan-2-yl]- (9CI)
Database identifiers
- CAS
205925-91-3
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 256.8 · 256.8±35.0 °C(Predicted)
- Density
- 1.151 · 1.151±0.06 g/cm3(Predicted)
- pka
- 14.2 · 14.20±0.10(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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