| CAS Number | 214264-38-7 |
| Catalog Number | AG00BETR(AGN-PC-0WAS9X) |
| Chemical Name | (E)-1-(3,4-Dimethoxyphenyl)-3-(p-tolyl)prop-2-en-1-one |
| IUPAC Name | 1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one |
| InChI | InChI=1S/C18H18O3/c1-13-4-6-14(7-5-13)8-10-16(19)15-9-11-17(20-2)18(12-15)21-3/h4-12H,1-3H3 |
| InChI Key | MBFUXAKECSBERE-UHFFFAOYSA-N |
| MDL Number | MFCD00510423 |
| Molecular Formula | C18H18O3 |
| Molecular Weight | 282.3337 |
| SMILES | O=C(C1(=CC(OC)=C(OC)C=C1))C=CC2(=CC=C(C)C=C2) |
| Synonyms | AC1MDX5G,
214264-38-7,
(E)-1-(3,4-Dimethoxyphenyl)-3-(p-tolyl)prop-2-en-1-one,
CTK4E6733,
KS-00001MQY,
DTXSID40385808,
AKOS030244577,
MCULE-6413180137,
1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one,
ZINC04954154,
CID2844365,
(2E)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one,
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| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.339g/mol |
| Monoisotopic Mass | 282.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number