AC1LUJR1
2-[4-(4-ethoxy-1,3-dimethyl-8-oxocyclohepta[c]furan-6-yl)-2-methoxyphenoxy]acetonitrile
Also Known As: Oprea1_710962|BAS 04358880|SR-01000367744-1|2-(4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)-2-methoxyphenoxy)acetonitrile|[4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)-2-methoxyphenoxy]acetonitrile|2-[4-(4-ethoxy-1,3-dimethyl-8-oxocyclohepta[c]furan-6-yl)-2-methoxyphenoxy]acetonitrile|2-(4-{4-ETHOXY-1,3-DIMETHYL-8-OXOCYCLOHEPTA[C]FURAN-6-YL}-2-METHOXYPHENOXY)ACETONITRILE|2-[4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[4,5-c]furan-6-yl)-2-methoxyphenoxy ]ethanenitrile
| Molecular Formula | C22H21NO5 |
|---|---|
| Molecular Weight | 379.14197 g/mol |
| LogP | 4.38652 |
| Topological Polar Surface Area | 81.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.14197 |
| Monoisotopic Mass | 379.14197 |
| Heavy Atoms | 28 |
| Complexity | 1124.446 |
Chemical Identifiers
| CAS Number | 461429-75-4 |
|---|---|
| SMILES | CCOC1=CC(=CC(=O)C2=C(OC(=C12)C)C)C3=CC(=C(C=C3)OCC#N)OC |
Product Overview
AC1LUJR1 (CAS 461429-75-4), with molecular formula C22H21NO5 and molecular weight 379.14197 g/mol. IUPAC: 2-[4-(4-ethoxy-1,3-dimethyl-8-oxocyclohepta[c]furan-6-yl)-2-methoxyphenoxy]acetonitrile.
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