(1R,5R)-spiro[bicyclo[3.2.0]heptane-6,2'-[1,3]dioxolan]-3-one
Basic information
- CAS
1932791-02-0- Standard SMILES
O=C1C[C@@H]2CC3(OCCO3)[C@@H]2C1- InChIKey
DEPRSEATLBWUAF-HTRCEHHLSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- (1R,5R)-spiro[bicyclo[3.2.0]heptane-6,2'-[1,3]dioxolan]-3-one
- IUPAC
- (1'R,5'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-one
- English name
- 10056-1b
- Molecular formula
- C9H12O3
- Molecular weight
- 168.19
Names & synonyms
(1R,5R)-spiro[bicyclo[3.2.0]heptane-6,2'-[1,3]dioxolan]-3-oneSCHEMBL3376208DEPRSEATLBWUAF-HTRCEHHLSA-N(+/-)-(1r,5r)-spiro[bicyclo[3.2.0]heptane-6,2'-[1,3]dioxolan]-3-one10056-1bSpiro[bicyclo[3.2.0]heptane-6,2'-[1,3]dioxolan]-3-one, (1R,5R)-
Database identifiers
- CAS
1932791-02-0- PubChem CID
- 68618751
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Boiling point
- 291.5 · 291.5±35.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
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Related reactions
1 records
Compound notes
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