Structure Database (LMSD)
Common Name
Ethylmalonic acid
Systematic Name
2-ethyl-propanedioic acid
Synonyms
3D model of Ethylmalonic 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)
UKFXDFUAPNAMPJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)
SMILES (Click to copy)
C(=O)(O)C(CC)C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
124.94
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
0.18
Molar Refractivity
29.05
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Created at
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Updated at
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