Structure Database (LMSD)
Common Name
2-methyl-3-oxo-propanoic acid
Systematic Name
2-methyl-3-oxo-propanoic acid
Synonyms
3D model of 2-methyl-3-oxo-propanoic 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)
VOKUMXABRRXHAR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)
SMILES (Click to copy)
C(=O)(O)C(C)C=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
98.85
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
-0.09
Molar Refractivity
22.86
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Created at
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Updated at
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