AC1NG8HV
2-amino-4-(1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: KS-000028UG|MS-6884|2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile|2-amino-4-(1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile|2-amino-4-(1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile|2-amino-4-benzo[1,3]dioxol-5-yl-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile|2-Amino-4-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydro-7-methyl-5-oxo-4H-1-benzopyran-3-carbonitrile|2-AMINO-4-BENZO[D]1,3-DIOXOLEN-5-YL-7-METHYL-5-OXO-4,6,7,8-TETRAHYDRO2H-CHROMENE-3-CARBONITRILE|4-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-amino-7-methyl-5-oxo-4H-6,7,8-trihydroc hromene-3-carbonitrile
| Molecular Formula | C18H16N2O4 |
|---|---|
| Molecular Weight | 324.111 g/mol |
| LogP | 2.47608 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.111 |
| Monoisotopic Mass | 324.111 |
| Heavy Atoms | 24 |
| Complexity | 847.065 |
Chemical Identifiers
| CAS Number | 1024209-91-3 |
|---|---|
| SMILES | CC1CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C(=O)C1 |
Product Overview
AC1NG8HV (CAS 1024209-91-3), with molecular formula C18H16N2O4 and molecular weight 324.111 g/mol. IUPAC: 2-amino-4-(1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
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