AC1O5JSU
[(1S,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methyl-di(propan-2-yl)azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (Z)-, maleate|(Z)-2-((Bis(1-methylethyl)amino)methyl)-1-phenylcyclopropanecarboxylate ethyl ester maleate|CYCLOPROPANECARBOXYLIC ACID, 2-((BIS(1-METHYLETHYL)AMINO)METHYL)-1-PHENYL-, ETHY|[(1S,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methyl-di(propan-2-yl)azanium; (Z)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C23H33NO6 |
|---|---|
| Molecular Weight | 419.23077 g/mol |
| LogP | 0.5862 |
| Topological Polar Surface Area | 108.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 419.23077 |
| Monoisotopic Mass | 419.23077 |
| Heavy Atoms | 30 |
| Complexity | 719.32007 |
Chemical Identifiers
| CAS Number | 85467-35-2 |
|---|---|
| SMILES | CCOC(=O)[C@@]1(C[C@@H]1C[NH+](C(C)C)C(C)C)C2=CC=CC=C2.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
AC1O5JSU (CAS 85467-35-2), with molecular formula C23H33NO6 and molecular weight 419.23077 g/mol. IUPAC: [(1S,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methyl-di(propan-2-yl)azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
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