barthrin
Identification (Source:EPA,EU)
| ID |
1594 |
| Name |
barthrin |
| CAS |
70-43-9 |
| IUPAC |
|
| Inchi |
InChI=1S/C18H21ClO4/c1-10(2)5-12-16(18(12,3)4)17(20)21-8-11-6-14-15(7-13(11)19)23-9-22-14/h5-7,12,16H,8-9H2,1-4H3 |
| CIPAC |
|
| EPA Code |
|
| Formula |
C18H21ClO4 |
| SMILES |
Clc(c([H])c(c1c2[H])OC([H])([H])O1)c2C([H])([H])OC([C@]([H])([C@@]3([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C3(C([H])([H])[H])C([H])([H])[H])=O |
| Status |
Not Available |
Classification
Properties (Source:PubChem)
| Molecular Weight |
336.80994 |
| Physical State |
|
| AlogP |
4.418 |
| H-Bond Donor |
0 |
| H-Bond Acceptor |
4 |
| Surface Area |
326.17 |
| Polar Surface Area |
44.76 |
Structure
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