| CAS Number | 4074-63-9 |
| Catalog Number | AG00CV99(AGN-PC-0NFMNH) |
| Chemical Name | 1-[4-(Tert-butoxy)phenyl]ethan-1-one |
| IUPAC Name | 1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanone |
| InChI | InChI=1S/C12H16O2/c1-9(13)10-5-7-11(8-6-10)14-12(2,3)4/h5-8H,1-4H3 |
| InChI Key | GOYJWIRYQHFXDZ-UHFFFAOYSA-N |
| MDL Number | MFCD09754934 |
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.2542 |
| SMILES | CC(=O)C1=CC=C(C=C1)OC(C)(C)C |
| Synonyms | 1-[4-(tert-butoxy)phenyl]ethan-1-one,
4074-63-9,
4'-tert-Butoxyacetophenone,
SCHEMBL2031463,
CTK8I6282,
DTXSID10454636,
ZINC20134161,
AKOS000296235,
MCULE-6487820393,
NE17962,
Ethanone, 1-[4-(1,1-dimethylethoxy)phenyl]-,
1-[4-(1,1-DIMETHYLETHOXY)PHENYL]-ETHANONE,
Z1695799365,
CID11084710,
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanone,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.258g/mol |
| Monoisotopic Mass | 192.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number