Structure Database (LMSD)
Common Name
Chrysanthemic acid
Systematic Name
Synonyms
3D model of Chrysanthemic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
XLOPRKKSAJMMEW-SFYZADRCSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8+/m1/s1
SMILES (Click to copy)
[C@H]1(C(=O)O)C([C@@H]1/C=C(\C)/C)(C)C
References
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
1
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
181.50
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.31
Molar Refractivity
47.83
Admin
Created at
-
Updated at
-