3-Oxatricyclo(3.1.0.02,6)hexan-4-one
Basic information
- CAS
19192-82-6- Standard SMILES
O=C1OC2C3C1C23- InChIKey
KAYMRZOTMLPTHA-UHFFFAOYSA-N- Molecular formula
- C5H4O2
- Average molar mass
- 96.08 g/mol
- Monoisotopic mass
- 96.02112937
Names & identifiers
- Preferred name
- 3-Oxatricyclo(3.1.0.02,6)hexan-4-one
- IUPAC
- 3-oxatricyclo[3.1.0.02,6]hexan-4-one
Names & synonyms
19192-82-63-Oxatricyclo(3.1.0.02,6)hexan-4-oneKAYMRZOTMLPTHA-UHFFFAOYSA-DTXSID809408343-Oxatricyclo[3.1.0.0~2,6~]hexan-4-oneInChI=1/C5H4O2/c6-5-3-1-2(3)4(1)7-5/h1-4H
Database identifiers
- CAS
19192-82-6- PubChem CID
- 140490
- DTXSID
DTXSID80940834
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 153
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Compound notes
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