Basic information
- CAS
39536-72-6- Standard SMILES
O=C1CCC2CCC1O2- InChIKey
SGTQFLSSSJKNAC-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
Names & identifiers
- Preferred name
- 8-Oxabicyclo[3.2.1]octan-2-one
- IUPAC
- 8-oxabicyclo[3.2.1]octan-2-one
Names & synonyms
8-oxabicyclo[3.2.1]octan-2-one39536-72-6SCHEMBL2710267SGTQFLSSSJKNAC-UHFFFAOYSA-NPBA53672MFCD24394101AT30349SY212871EN300-261004
Database identifiers
- CAS
39536-72-6- PubChem CID
- 59634362
- EC Number
- 172-086-9
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 142
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
1 records
Compound notes
Loading…