| CAS Number | 206355-74-0 |
| Catalog Number | AG01DW5O(AGN-PC-0O7LD6) |
| Chemical Name | 9-Methyl-6,7,8,9-tetrahydro-5h-benzo[7]annulen-6-one |
| IUPAC Name | 9-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one |
| InChI | InChI=1S/C12H14O/c1-9-6-7-11(13)8-10-4-2-3-5-12(9)10/h2-5,9H,6-8H2,1H3 |
| InChI Key | CJNRGPRRTUIXJT-UHFFFAOYSA-N |
| MDL Number | MFCD24709464 |
| Molecular Formula | C12H14O |
| Molecular Weight | 174.239 |
| SMILES | CC1C2=C(C=CC=C2)CC(=O)CC1 |
| Synonyms | 9-METHYL-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-6-ONE,
206355-74-0,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.243g/mol |
| Monoisotopic Mass | 174.104g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number