| CAS Number | 522628-98-4 |
| Catalog Number | AG019HMD |
| Chemical Name | 2-(3,4-Dimethoxy-phenyl)-4-ethoxymethylene-4h-isoquinoline-1,3-dione |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-4-(ethoxymethylidene)isoquinoline-1,3-dione |
| InChI | InChI=1S/C20H19NO5/c1-4-26-12-16-14-7-5-6-8-15(14)19(22)21(20(16)23)13-9-10-17(24-2)18(11-13)25-3/h5-12H,4H2,1-3H3 |
| InChI Key | OKOZJPGBXRUYLB-UHFFFAOYSA-N |
| MDL Number | MFCD07280112 |
| Molecular Formula | C20H19NO5 |
| Molecular Weight | 353.3686 |
| SMILES | CCOC=C1C2=C(C=CC=C2)C(=O)N(C2=CC(OC)=C(OC)C=C2)C1=O |
| Synonyms | 2-(3,4-dimethoxyphenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione,
522628-98-4,
AC1MZDFW,
CTK6F9976,
AKOS034460730,
MCULE-6428778997,
Z56846822,
2-(3,4-dimethoxyphenyl)-4-(ethoxymethylidene)isoquinoline-1,3-dione,
ZINC03249380,
CID3870777,
2-(3,4-Dimethoxy-phenyl)-4-ethoxymethylene-4H-isoquinoline-1,3-dione,
|
| Complexity | 560 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.374g/mol |
| Monoisotopic Mass | 353.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 65.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number