6-Methylbicyclo[4.1.0]heptan-2-one
Basic information
- CAS
14845-41-1- Standard SMILES
CC12CCCC(=O)C1C2- InChIKey
UEILJFFGJJRFFG-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- 6-Methylbicyclo[4.1.0]heptan-2-one
- IUPAC
- 6-methylbicyclo[4.1.0]heptan-2-one
- English name
- 6-Methylnorcaran-2-one
- Molecular formula
- C8H12O
- Molecular weight
- 124.18
Names & synonyms
6-Methylbicyclo[4.1.0]heptan-2-one14845-41-1Bicyclo[4.1.0]heptan-2-one, 6-methyl-MFCD098665692-Norcaranone, 6-methyl-6-Methylnorcaran-2-oneSCHEMBL15564163DTXSID70338483ZB0526AKOS024436723SB129866-Methylbicyclo[4.1.0]heptan-2-one #
Show more names
CS-0185225
Database identifiers
- CAS
14845-41-1- PubChem CID
- 549327
- DTXSID
DTXSID70338483- Nikkaji
- J133.586C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 184.9 · 184.9±8.0 °C(Predicted)
- Density
- 1.066 · 1.066±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280
- HS Code
- 2914290090 · 2914290090
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
- hs_code
- 2914290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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