Structure Database (LMSD)
Common Name
2-Acetolactate
Systematic Name
2-hydroxy-2-methyl-3-oxobutanoic acid
Synonyms
3D model of 2-Acetolactate
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)
NMDWGEGFJUBKLB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8)
SMILES (Click to copy)
C(=O)(O)C(C)(O)C(=O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
124.94
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
-0.30
Molar Refractivity
29.45
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Created at
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Updated at
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