| CAS Number | 53773-76-5 |
| Catalog Number | AG00I9LI(AGN-PC-00L54L) |
| Chemical Name | 4'-Methoxy-2'-methylpropiophenone |
| IUPAC Name | 1-(4-methoxy-2-methylphenyl)propan-1-one |
| InChI | InChI=1S/C11H14O2/c1-4-11(12)10-6-5-9(13-3)7-8(10)2/h5-7H,4H2,1-3H3 |
| InChI Key | UOYQXLFNCLUVBD-UHFFFAOYSA-N |
| MDL Number | MFCD11617652 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | C1(C(CC)=O)=CC=C(C=C1C)OC |
| Synonyms | 53773-76-5,
4'-Methoxy-2'-methylpropiophenone,
1-(4-METHOXY-2-METHYLPHENYL)PROPAN-1-ONE,
1-Propanone, 1-(4-methoxy-2-methylphenyl)-,
3-Methyl-4-propionylanisole,
SCHEMBL2089774,
CTK1G0213,
KS-00001AJL,
DTXSID50521917,
UOYQXLFNCLUVBD-UHFFFAOYSA-N,
ZINC39408103,
AKOS009148682,
AM806194,
1-(4-Methoxy-2-methylphenyl)-1-propanone,
CS-0038635,
1-(4-methoxy-2-methyl-phenyl)-propan-1-one,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.231g/mol |
| Monoisotopic Mass | 178.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number