Basic information
- CAS
75926-49-7- Standard SMILES
CC(O)C1OC1C(C)O- InChIKey
JBYWPJLNRCALBI-UHFFFAOYSA-N- Molecular formula
- C6H12O3
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.07864424
Names & identifiers
- Preferred name
- 3,4-Epoxy-hexane-2,5-diol
- IUPAC
- 1-[3-(1-hydroxyethyl)oxiran-2-yl]ethanol
Names & synonyms
75926-49-73,4-epoxy-hexane-2,5-diolNSC179672SCHEMBL64343063,4-anhydro-1,6-dideoxyhexitolDTXSID20306758NSC-179672
Database identifiers
- CAS
75926-49-7- PubChem CID
- 301641
- DTXSID
DTXSID20306758
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 92.5
Related reactions
1 records
Compound notes
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