Structure Database (LMSD)
Common Name
9-(3-methyl-5-propylfuran-2-yl)-nonanoic acid
Systematic Name
9-(5-propyl-3-methylfuran-2-yl)-nonanoic acid
Synonyms
- 9M3
- 3-methyl-5-propyl-2-furannonanoic acid
3D model of 9-(3-methyl-5-propylfuran-2-yl)-nonanoic 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)
KBPXPNAPONVMFL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H28O3/c1-3-10-15-13-14(2)16(20-15)11-8-6-4-5-7-9-12-17(18)19/h13H,3-12H2,1-2H3,(H,18,19)
SMILES (Click to copy)
CCCC1=CC(C)=C(CCCCCCCCC(=O)O)O1
References
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
1
Aromatic Rings
1
Rotatable Bonds
11
Van der Waals Molecular Volume
297.85
Topological Polar Surface Area
50.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
4.90
Molar Refractivity
81.10
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Created at
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Updated at
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