| CAS Number | 68913-17-7 |
| Catalog Number | AG005N61(AGN-PC-0NJ28Z) |
| Chemical Name | 8-Methylbicyclo[4.2.0]octa-1,3,5-trien-7-one |
| IUPAC Name | 8-methylbicyclo[4.2.0]octa-1,3,5-trien-7-one |
| InChI | InChI=1S/C9H8O/c1-6-7-4-2-3-5-8(7)9(6)10/h2-6H,1H3 |
| InChI Key | NASKFLAPVWUAGV-UHFFFAOYSA-N |
| MDL Number | MFCD24689114 |
| Molecular Formula | C9H8O |
| Molecular Weight | 132.1592 |
| SMILES | CC1C2=C(C=CC=C2)C1=O |
| Synonyms | 68913-17-7,
8-Methylbicyclo[4.2.0]octa-1,3,5-trien-7-one,
8-Methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one,
Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 8-methyl-,
methylbenzocyclobutenone,
CTK1J1645,
DTXSID00499334,
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| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.162g/mol |
| Monoisotopic Mass | 132.058g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number