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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