Structure Database (LMSD)
Common Name
5-formyl-2-hydroxyhepta-2,4-dienedioic acid
Systematic Name
5-formyl-2-hydroxyhepta-2,4-dienedioic acid
Synonyms
3D model of 5-formyl-2-hydroxyhepta-2,4-dienedioic 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)
NLXIEJRQAIHYPN-IOBHVTPZSA-N
InChi (Click to copy)
InChI=1S/C8H8O6/c9-4-5(3-7(11)12)1-2-6(10)8(13)14/h1-2,4,10H,3H2,(H,11,12)(H,13,14)/b5-1-,6-2-
SMILES (Click to copy)
C(=O)(O)/C(/O)=C/C=C(\C([H])=O)/CC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
186.50
Topological Polar Surface Area
111.90
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
0.11
Molar Refractivity
44.75
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Created at
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Updated at
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