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
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
Other Databases
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
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Created at
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Updated at
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