Structure Database (LMSD)
Common Name
Gallicynoic acid I
Systematic Name
6-hydroxy-deca-4-ynoic acid
Synonyms
3D model of Gallicynoic acid I
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
String Representations
InChiKey (Click to copy)
DPGVHXHAHQPSNB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H16O3/c1-2-3-6-9(11)7-4-5-8-10(12)13/h9,11H,2-3,5-6,8H2,1H3,(H,12,13)
SMILES (Click to copy)
OC(=O)CCC#CC(O)CCCC
References
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
200.01
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
1.69
Molar Refractivity
50.69
Admin
Created at
5th Jun 2020
Updated at
5th Jun 2020