AC1MXXSE
13-amino-11-(1,3-benzodioxol-5-yl)-3,5-dimethyl-7-oxo-4,14-dioxatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,8,12-pentaene-12-carbonitrile
Also Known As: 2-amino-4-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile|2-amino-4-(benzo[d][1,3]dioxol-5-yl)-8,10-dimethyl-7-oxo-4,7-dihydrofuro[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile
CAS: 877778-65-9
| Molecular Formula | C22H16N2O5 |
|---|---|
| Molecular Weight | 388.10593 g/mol |
| LogP | 3.35672 |
| Topological Polar Surface Area | 107.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.10593 |
| Monoisotopic Mass | 388.10593 |
| Heavy Atoms | 29 |
| Complexity | 1329.7528 |
Chemical Identifiers
| CAS Number | 877778-65-9 |
|---|---|
| SMILES | CC1=C2C(=O)C=CC3=C(C2=C(O1)C)OC(=C(C3C4=CC5=C(C=C4)OCO5)C#N)N |
Product Overview
AC1MXXSE (CAS 877778-65-9), with molecular formula C22H16N2O5 and molecular weight 388.10593 g/mol. IUPAC: 13-amino-11-(1,3-benzodioxol-5-yl)-3,5-dimethyl-7-oxo-4,14-dioxatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,8,12-pentaene-12-carbonitrile.
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.
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