AC1MDLBH
2-amino-4-(3-ethoxy-4-hydroxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
Also Known As: Oprea1_635772|KS-00003S5K|BAS 07416779|SS-0795|2-amino-4-(3-ethoxy-4-hydroxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile|AK-777/11656239|2-amino-4-(3-ethoxy-4-hydroxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile|2-amino-4-(3-ethoxy-4-hydroxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile|2-amino-4-(3-ethoxy-4-hydroxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-ca rbonitrile|2-amino-4-(3-ethoxy-4-hydroxyphenyl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile
| Molecular Formula | C18H16N2O5 |
|---|---|
| Molecular Weight | 340.10593 g/mol |
| LogP | 2.2707 |
| Topological Polar Surface Area | 118.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.10593 |
| Monoisotopic Mass | 340.10593 |
| Heavy Atoms | 25 |
| Complexity | 968.40735 |
Chemical Identifiers
| CAS Number | 340809-01-0 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)OC(=C3)C)N)C#N)O |
Product Overview
AC1MDLBH (CAS 340809-01-0), with molecular formula C18H16N2O5 and molecular weight 340.10593 g/mol. IUPAC: 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile.