| CAS Number | 381214-65-9 |
| Catalog Number | AG00C6N4(AGN-PC-0RFOGT) |
| Chemical Name | 3-[3-(3,4-DIMETHOXY-PHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]-ACRYLIC ACID |
| IUPAC Name | 3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid |
| InChI | InChI=1S/C20H18N2O4/c1-25-17-10-8-14(12-18(17)26-2)20-15(9-11-19(23)24)13-22(21-20)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,24) |
| InChI Key | FOGGGTGHKJQXFI-UHFFFAOYSA-N |
| MDL Number | MFCD03150315 |
| Molecular Formula | C20H18N2O4 |
| Molecular Weight | 350.3679 |
| SMILES | COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)O)C3=CC=CC=C3)OC |
| Synonyms | (Z)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-propenoic acid,
381214-65-9,
AC1MCFGK,
CTK6J7385,
KS-00001SD9,
AKOS030242025,
MCULE-3763384802,
3-(3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylic acid,
3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid,
CID2768337,
3-[3-(3,4-Dimethoxy-phenyl)-1-phenyl-1H-pyrazol-4-yl]-acrylic acid,
3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic Acid,
|
| Complexity | 492 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 350.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 350.374g/mol |
| Monoisotopic Mass | 350.127g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 73.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number