| CAS Number | 1080636-36-7 |
| Catalog Number | AG019V3P(AGN-PC-0WO7J4) |
| Chemical Name | 3-(2-methylphenyl)cyclobutan-1-one |
| IUPAC Name | 3-(2-methylphenyl)cyclobutan-1-one |
| InChI | InChI=1S/C11H12O/c1-8-4-2-3-5-11(8)9-6-10(12)7-9/h2-5,9H,6-7H2,1H3 |
| InChI Key | MCRFZIZRSLQUEO-UHFFFAOYSA-N |
| MDL Number | MFCD20233430 |
| Molecular Formula | C11H12O |
| Molecular Weight | 160.2124 |
| SMILES | CC1=C(C2CC(=O)C2)C=CC=C1 |
| Synonyms | 3-(2-methylphenyl)cyclobutan-1-one,
1080636-36-7,
SCHEMBL426358,
ZINC71378517,
AKOS023841221,
MCULE-6550212238,
NE31313,
EN300-43642,
Z1258578142,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.216g/mol |
| Monoisotopic Mass | 160.089g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number