| CAS Number | 76049-04-2 |
| Catalog Number | AG01C0CT(AGN-PC-00NG74) |
| Chemical Name | 1-(2,3-Dimethoxyphenyl)propan-1-one |
| IUPAC Name | 1-(2,3-dimethoxyphenyl)propan-1-one |
| InChI | InChI=1S/C11H14O3/c1-4-9(12)8-6-5-7-10(13-2)11(8)14-3/h5-7H,4H2,1-3H3 |
| InChI Key | PFOYCWODPKZBQM-UHFFFAOYSA-N |
| MDL Number | MFCD28810062 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | CCC(C1=C(OC)C(OC)=CC=C1)=O |
| Synonyms | 1-(2,3-Dimethoxyphenyl)propan-1-one,
76049-04-2,
SCHEMBL3661643,
ZINC34109331,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number