RefChem:1073451
(E)-but-2-enedioic acid;2-(dimethylamino)ethyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-9-carboxylate
Also Known As: 2-(Dimethylamino)ethyl 5H-dibenzo(a,d)cyclohepten-10-carboxylate hydrogen fumarate|5H-Dibenzo(a,d)cyclohepten-10-carboxylic acid, 2-(dimethylamino)ethyl ester, hydrogen fumarate|5H-Dibenzo[a,d]cycloheptene-10-carboxylic acid, 2-(dimethylamino)ethyl ester fumarate (1:1)
| Molecular Formula | C24H25NO6 |
|---|---|
| Molecular Weight | 423.16818 g/mol |
| LogP | 2.948 |
| Topological Polar Surface Area | 104.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.16818 |
| Monoisotopic Mass | 423.16818 |
| Heavy Atoms | 31 |
| Complexity | 990.63403 |
Chemical Identifiers
| CAS Number | 27720-08-7 |
|---|---|
| SMILES | CN(C)CCOC(=O)C1=CC2=CC=CC=C2CC3=CC=CC=C31.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1073451 (CAS 27720-08-7), with molecular formula C24H25NO6 and molecular weight 423.16818 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(dimethylamino)ethyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-9-carboxylate.
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