valerate
Identification (Source:EPA,EU)
ID |
1643 |
Name |
valerate |
CAS |
51630-33-2 |
IUPAC |
|
Inchi |
InChI=1S/C24H23ClO3/c1-17(2)23(19-11-13-20(25)14-12-19)24(26)27-16-18-7-6-10-22(15-18)28-21-8-4-3-5-9-21/h3-15,17,23H,16H2,1-2H3 |
CIPAC |
|
EPA Code |
|
Formula |
C24H23ClO3 |
SMILES |
Clc(c([H])c([H])c1[C@]([H])(C(=O)OC([H])([H])c2c([H])c([H])c([H])c(c2[H])Oc3c([H])c([H])c([H])c([H])c3[H])C([H])(C([H])([H])[H])C([H])([H])[H])c([H])c1[H] |
Status |
Not Approved |
Classification
Properties (Source:PubChem)
Molecular Weight |
394.89062 |
Physical State |
|
AlogP |
6.698 |
H-Bond Donor |
0 |
H-Bond Acceptor |
3 |
Surface Area |
378.01 |
Polar Surface Area |
35.53 |
Structure
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