8-Methylbicyclo[4.2.0]octa-1,3,5-trien-7-one
Basic information
- CAS
68913-17-7- Standard SMILES
CC1C(=O)c2ccccc21- InChIKey
NASKFLAPVWUAGV-UHFFFAOYSA-N- Molecular formula
- C9H8O
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.05751487
Names & identifiers
- Preferred name
- 8-Methylbicyclo[4.2.0]octa-1,3,5-trien-7-one
- IUPAC
- 8-methylbicyclo[4.2.0]octa-1,3,5-trien-7-one
- English name
- Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 8-methyl-
- Molecular formula
- C9H8O
- Molecular weight
- 132.15922
Names & synonyms
68913-17-78-Methylbicyclo[4.2.0]octa-1,3,5-trien-7-one8-Methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-oneBicyclo[4.2.0]octa-1,3,5-trien-7-one, 8-methyl-methylbenzocyclobutenoneSCHEMBL6278903DTXSID00499334TCA91317AT42868EN300-736629
Database identifiers
- CAS
68913-17-7- PubChem CID
- 12465239
- DTXSID
DTXSID00499334- Nikkaji
- J452.686D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- 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
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Related reactions
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Compound notes
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