AC1O5IYA
[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]-dipropylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: C20H29NO.C4H4O4.1/2H2O|C20-H29-N-O.C4-H4-O4.1/2H2-O|Ethanone, 2-(dipropylamino)-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-, (Z)-2-butenedioate, hydrate (2:2:1)|2-(Dipropylamino)-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone maleate hemihydrate|[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]-dipropylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate|ETHANONE, 2-(DIPROPYLAMINO)-1-(1,2,3,5,6,7-HEXAHYDRO-s-INDACEN-4-YL)-, (Z)-2-BUT
| Molecular Formula | C24H33NO5 |
|---|---|
| Molecular Weight | 415.23587 g/mol |
| LogP | 0.9287 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 415.23587 |
| Monoisotopic Mass | 415.23587 |
| Heavy Atoms | 30 |
| Complexity | 758.05457 |
Chemical Identifiers
| CAS Number | 67367-67-3 |
|---|---|
| SMILES | CCC[NH+](CCC)CC(=O)C1=C2CCCC2=CC3=C1CCC3.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
AC1O5IYA (CAS 67367-67-3), with molecular formula C24H33NO5 and molecular weight 415.23587 g/mol. IUPAC: [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]-dipropylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.