Structure Database (LMSD)
Common Name
Nonadecandioic acid
Systematic Name
Nonadecane-1,19-dioic acid
Synonyms
- 1,19-Nonadecanedioic acid
LM ID
LMFA01170135
Formula
Exact Mass
Calculate m/z
328.26136
Sum Composition
Status
Active
3D model of Nonadecandioic 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
String Representations
InChiKey (Click to copy)
IFAWYXIHOVRGHQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H36O4/c20-18(21)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(22)23/h1-17H2,(H,20,21)(H,22,23)
SMILES (Click to copy)
C(O)(=O)CCCCCCCCCCCCCCCCCC(O)=O
References
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
367.14
Topological Polar Surface Area
74.6
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
5.79
Molar Refractivity
93.76
Admin
Created at
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Updated at
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