Structure Database (LMSD)
Common Name
Tensyuic acid A
Systematic Name
7-methoxy-3-(methoxycarbonyl)-2-methylene-7-oxoheptanoic acid
Synonyms
LM ID
LMFA01170159
Formula
Exact Mass
Calculate m/z
244.09469
Sum Composition
Status
Curated
3D model of Tensyuic acid A
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
String Representations
InChiKey (Click to copy)
MDFIHAYHEBXNCC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H16O6/c1-7(10(13)14)8(11(15)17-3)5-4-6-9(12)16-2/h8H,1,4-6H2,2-3H3,(H,13,14)
SMILES (Click to copy)
C(C(=C)C(C(OC)=O)CCCC(=O)OC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
241.04
Topological Polar Surface Area
89.90
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
0.76
Molar Refractivity
58.15
Admin
Created at
19th May 2021
Updated at
19th May 2021