Structure Database (LMSD)
Common Name
1-Hydroxy-3-nonanone
Systematic Name
1-hydroxynonan-3-one
Synonyms
3D model of 1-Hydroxy-3-nonanone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
KCTDZLVBGWXNSQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O2/c1-2-3-4-5-6-9(11)7-8-10/h10H,2-8H2,1H3
SMILES (Click to copy)
CCCCCCC(=O)CCO
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
179.20
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.19
Molar Refractivity
45.96
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Created at
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Updated at
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