| CAS Number | 947701-71-5 |
| Catalog Number | AG00IXBM(AGN-PC-0WB1XC) |
| Chemical Name | (2E)-3-(3,4-Dimethoxyphenyl)-1-(thiophen-3-yl)prop-2-en-1-one |
| IUPAC Name | 3-(3,4-dimethoxyphenyl)-1-thiophen-3-ylprop-2-en-1-one |
| InChI | InChI=1S/C15H14O3S/c1-17-14-6-4-11(9-15(14)18-2)3-5-13(16)12-7-8-19-10-12/h3-10H,1-2H3 |
| InChI Key | RKPIVDJRGWSFOE-UHFFFAOYSA-N |
| MDL Number | MFCD00955179 |
| Molecular Formula | C15H14O3S |
| Molecular Weight | 274.3349 |
| SMILES | S2(C=C(C(=O)C=CC1(=CC(OC)=C(OC)C=C1))C=C2) |
| Synonyms | 947701-71-5,
3-(3,4-dimethoxyphenyl)-1-(3-thienyl)-2-propen-1-one,
AC1N52IR,
(2E)-3-(3,4-dimethoxyphenyl)-1-(thiophen-3-yl)prop-2-en-1-one,
CTK6J5710,
AKOS030253567,
MCULE-7214078366,
KS-0000295F,
3-(3,4-dimethoxyphenyl)-1-thiophen-3-ylprop-2-en-1-one,
CID4165020,
3-(3,4-dimethoxyphenyl)-1-thiophen-3-yl-prop-2-en-1-one,
3-(3,4-DIMETHOXYPHENYL)-1-(3-THIENYL)PROP-2-EN-1-ONE,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.334g/mol |
| Monoisotopic Mass | 274.066g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number