Structure Database (LMSD)
Common Name
2,4-dihydroxy-2-heptenedioc acid
Systematic Name
2,4-dihydroxy-2-heptenedioc acid
Synonyms
- 2,4-Dihydroxyhept-2-enedioc acid
3D model of 2,4-dihydroxy-2-heptenedioc acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
APNIDHDQYISZAE-HYXAFXHYSA-N
InChi (Click to copy)
InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h3-4,8-9H,1-2H2,(H,10,11)(H,12,13)/b5-3-
SMILES (Click to copy)
C(=C(/O)\C(=O)O)/C(O)CCC(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
174.48
Topological Polar Surface Area
115.06
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
0.02
Molar Refractivity
41.74
Admin
Created at
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Updated at
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