| CAS Number | 69906-55-4 |
| Catalog Number | AG00IBZU(AGN-PC-0WCKLN) |
| Chemical Name | 3-Phenoxycyclobutanone |
| IUPAC Name | 3-phenoxycyclobutan-1-one |
| InChI | InChI=1S/C10H10O2/c11-8-6-10(7-8)12-9-4-2-1-3-5-9/h1-5,10H,6-7H2 |
| InChI Key | TYUULSNADYPSMV-UHFFFAOYSA-N |
| MDL Number | MFCD21755623 |
| Molecular Formula | C10H10O2 |
| Molecular Weight | 162.1852 |
| SMILES | O=C1CC(OC2=CC=CC=C2)C1 |
| Synonyms | 3-phenoxycyclobutanone,
69906-55-4,
3-phenoxycyclobutan-1-one,
3-(tert-Butoxy)cyclobutanone,
Cyclobutanone, 3-phenoxy-,
SCHEMBL445049,
MFCD21755623,
ZINC85504093,
AKOS015713491,
SB11148,
AS-51582,
CS-0055429,
30830-28-5,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.188g/mol |
| Monoisotopic Mass | 162.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number