Structure Database (LMSD)
Common Name
3-hydroxy-suberic acid
Systematic Name
3-hydroxy-octanedioic acid
Synonyms
3D model of 3-hydroxy-suberic 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)
ARJZZFJXSNJKGR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H14O5/c9-6(5-8(12)13)3-1-2-4-7(10)11/h6,9H,1-5H2,(H,10,11)(H,12,13)
SMILES (Click to copy)
C(=O)(O)CC(O)CCCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
185.63
Topological Polar Surface Area
94.83
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
0.75
Molar Refractivity
44.88
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Created at
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Updated at
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