Structure Database (LMSD)
Common Name
9-hydroxy-7E-Nonene-3,5-diynoic acid
Systematic Name
9-hydroxy-7E-Nonene-3,5-diynoic acid
Synonyms
3D model of 9-hydroxy-7E-Nonene-3,5-diynoic 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)
DSMORYZYOBMZIC-GQCTYLIASA-N
InChi (Click to copy)
InChI=1S/C9H8O3/c10-8-6-4-2-1-3-5-7-9(11)12/h4,6,10H,7-8H2,(H,11,12)/b6-4+
SMILES (Click to copy)
C(CC#CC#C/C=C/CO)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
174.79
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
0.30
Molar Refractivity
44.52
Admin
Created at
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Updated at
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