Structure Database (LMSD)
Common Name
7-Formylheptanoic acid
Systematic Name
8-oxo-Octanoic acid
Synonyms
- Octanoic acid, 8-oxo-
3D model of 7-Formylheptanoic 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)
UEXYJHLCLUYOFA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H14O3/c9-7-5-3-1-2-4-6-8(10)11/h7H,1-6H2,(H,10,11)
SMILES (Click to copy)
C(CCCCCCC=O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
168.05
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
1.61
Molar Refractivity
41.4
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Created at
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Updated at
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