Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl
Basic information
- CAS
1075-30-5- Standard SMILES
CC(=O)C1Cc2ccccc21- InChIKey
HRBWEKNHUNICAM-UHFFFAOYSA-N- Molecular formula
- C10H10O
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.07316494
Names & identifiers
- Preferred name
- Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl
- IUPAC
- 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethanone
- English name
- Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(methyl) ketone
- Molecular formula
- C10H10O
- Molecular weight
- 146.19
Names & synonyms
1075-30-5BRN 2044508Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketoneBicyclo(4.2.0)octa-1,3,5-triene, 7-acetyl-KETONE, BICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL METHYLRefChem:3504541-{bicyclo[4.2.0]octa-1,3,5-trien-7-yl}ethan-1-one1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethanoneBicyclo[4.2.0]octa-1,3,5-trien-7-yl(methyl) ketone1-(Bicyclo[4.2.0]octa-1,3,5-trien-7-yl)ethan-1-oneacetyl-benzocyclobuteneSCHEMBL13979540
Show more names
1-(Bicyclo[4.2.0]octa-1,3,5-trien-7-yl)ethanoneEthanone, 1-bicyclo[4.2.0]octa-1,3,5-trien-7-yl-1-(bicyclo[4.2.0]octa-1(6),2,4-trien-7-yl)ethanone
DTXSID50910347BAA07530AKOS013793049DB-243122E72984EN300-3022341-{bicyclo[4.2.0]octa-1(6),2,4-trien-7-yl}ethan-1-one
Database identifiers
- CAS
1075-30-5- PubChem CID
- 14097
- DTXSID
DTXSID50910347- Nikkaji
- J41.521I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 225.81 °C · 225.81°C (rough estimate)
- Density
- 0.9574 · 0.9574 (rough estimate)
- refractive index
- 1.554 · 1.5540 (estimate)
- Toxicity
- 50 ipr-mus: · LD50 ipr-mus: 550 mg/kg JMCMAR 9,656,66
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
- Toxicity
- LD50 ipr-mus: 550 mg/kg JMCMAR 9,656,66
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Compound notes
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