Basic information
- CAS
175672-65-8- Standard SMILES
OC1CC2OC2C1- InChIKey
BMXGLUVWNGLWCQ-UHFFFAOYSA-N- Molecular formula
- C5H8O2
- Average molar mass
- 100.12 g/mol
- Monoisotopic mass
- 100.05242949
Names & identifiers
- Preferred name
- 6-Oxabicyclo[3.1.0]hexan-3-ol
- IUPAC
- 6-oxabicyclo[3.1.0]hexan-3-ol
- English name
- 6-Oxabicyclo[3.1.0]hexan-3-ol
- Molecular formula
- C5H8O2
- Molecular weight
- 100.12
Names & synonyms
6-oxabicyclo[3.1.0]hexan-3-ol175672-65-86-Oxa-bicyclo[3.1.0]hexan-3-olMFCD18822589rel-(1R,3s,5S)-6-oxabicyclo[3.1.0]hexan-3-olSCHEMBL6440360DTXSID80337962BMXGLUVWNGLWCQ-UHFFFAOYSA-N25494-15-9DB-242885F892296-oxabicyclo[3.1.0]hexan-3-ol - [X83641]
Database identifiers
- CAS
175672-65-8- PubChem CID
- 545698
- DTXSID
DTXSID80337962
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 82.1
Physicochemical properties
- Boiling point
- 241.4 · 241.4±8.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- pka
- 14.61 · 14.61±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
河南伊诺凯新材料有限公司15670530983 · [email protected]
河北迪远医药技术有限公司13803176464 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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