AC1LDVXE
4-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: KS-00004AYX|BAS 00675462|(E)-4-{[3-(Methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino}-4-oxo-2-butenoic acid|4-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid|4-{[3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]amino}-4-oxo-2-butenoic acid
CAS: 314282-35-4
| Molecular Formula | C13H13NO5S |
|---|---|
| Molecular Weight | 295.05145 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.05145 |
| Monoisotopic Mass | 295.05145 |
| Heavy Atoms | 20 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 314282-35-4 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)C=CC(=O)O |
| InChIKey | YBYMBGPWJJKZNZ-UHFFFAOYSA-N |
Product Overview
AC1LDVXE (CAS 314282-35-4), with molecular formula C13H13NO5S and molecular weight 295.05145 g/mol. IUPAC: 4-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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