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
Curated
3D model of Nonadecandioic acid
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
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
Other Databases
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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