2-Oxiranol, 2-acetate
Basic information
- CAS
36099-39-5- Standard SMILES
CC(=O)OC1CO1- InChIKey
PTLPNBKWIDVXHN-UHFFFAOYSA-N- Molecular formula
- C4H6O3
- Average molar mass
- 102.09 g/mol
- Monoisotopic mass
- 102.03169405
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-Oxiranol, 2-acetate
- IUPAC
- oxiran-2-yl acetate
- English name
- acetoxyoxirane
- Molecular formula
- C4H6O3
- Molecular weight
- 102.09
Names & synonyms
Acetoxyoxirane36099-39-52-Oxiranol, 2-acetateRefChem:910172oxiran-2-yl acetateOxiranol, acetateAcetoxyoxiranSCHEMBL3024710DTXSID80957503
Database identifiers
- CAS
36099-39-5- PubChem CID
- 160259
- DTXSID
DTXSID80957503
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 88.9
Physicochemical properties
- Boiling point
- 35 · 35-40 °C(Press: 5 Torr)
- Density
- 1.13 g/cm3 · 1.13 g/cm3(Temp: 25 °C)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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