| CAS Number | 1260675-20-4 |
| Catalog Number | AG019V3O(AGN-PC-0WO728) |
| Chemical Name | 3-(3-Methoxyphenyl)cyclobutan-1-one |
| IUPAC Name | 3-(3-methoxyphenyl)cyclobutan-1-one |
| InChI | InChI=1S/C11H12O2/c1-13-11-4-2-3-8(7-11)9-5-10(12)6-9/h2-4,7,9H,5-6H2,1H3 |
| InChI Key | IPWMCQQBNNYEBE-UHFFFAOYSA-N |
| MDL Number | MFCD11848456 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | COC1=CC(C2CC(=O)C2)=CC=C1 |
| Synonyms | 3-(3-methoxyphenyl)cyclobutan-1-one,
3-(3-methoxyphenyl)cyclobutanone,
1260675-20-4,
ZINC72266318,
AKOS023844401,
SC-35959,
F8889-3856,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.215g/mol |
| Monoisotopic Mass | 176.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number