| CAS Number | 1133819-87-0 |
| Catalog Number | AG00IMP7(AGN-PC-0WP1AF) |
| Chemical Name | MSDC 0602 |
| IUPAC Name | 5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione |
| InChI | InChI=1S/C19H17NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,17H,9,11H2,1H3,(H,20,22,23) |
| InChI Key | YAUMOGALQJYOJQ-UHFFFAOYSA-N |
| MDL Number | MFCD28502493 |
| Molecular Formula | C19H17NO5S |
| Molecular Weight | 371.4070 |
| SMILES | COC=1C=C(C=CC1)C(COC1=CC=C(C=C1)CC1C(NC(S1)=O)=O)=O |
| Synonyms | MSDC-0602,
1133819-87-0,
MSDC 0602,
MSDC-0602,
5-(4-(2-(3-methoxyphenyl)-2-oxoethoxy)benzyl)thiazolidine-2,4-dione,
2,4-Thiazolidinedione, 5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-,
YAUMOGALQJYOJQ-UHFFFAOYSA-N,
SCHEMBL623654,
AKOS027382993,
5-{4-[2-(3-methoxyphenyl)-2-oxoethoxy]benzyl}-1,3-thiazolidine-2,4-dione,
UNII-81MXZ6QOBM,
81MXZ6QOBM,
D00AUX,
|
| Complexity | 532 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 371.407g/mol |
| Monoisotopic Mass | 371.083g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number