| CAS Number | 32578-12-4 |
| Catalog Number | AG00BXMX(AGN-PC-0WCBT7) |
| Chemical Name | 1-(3-Methoxyphenyl)-2,2-dimethylpropan-1-one |
| IUPAC Name | 1-(3-methoxyphenyl)-2,2-dimethylpropan-1-one |
| InChI | InChI=1S/C12H16O2/c1-12(2,3)11(13)9-6-5-7-10(8-9)14-4/h5-8H,1-4H3 |
| InChI Key | IPTMKVLYPISCRA-UHFFFAOYSA-N |
| MDL Number | MFCD03841165 |
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.2542 |
| SMILES | COC1=CC(C(C(C)(C)C)=O)=CC=C1 |
| Synonyms | 2,2-DIMETHYL-3'-METHOXYPROPIOPHENONE,
32578-12-4,
1-(3-methoxyphenyl)-2,2-dimethylpropan-1-one,
m-methoxypivalophenone,
SCHEMBL7844611,
CTK4G8931,
DTXSID40642463,
ZINC2514223,
MFCD03841165,
AKOS010014482,
MCULE-8481721606,
NE23992,
Z1333043403,
|
| Complexity | 203 |
| 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 | 3.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number