Structure Database (LMSD)
Common Name
Isobutyric acid
Systematic Name
2-methyl-propanoic acid
Synonyms
3D model of Isobutyric 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)
KQNPFQTWMSNSAP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
SMILES (Click to copy)
CC(C)C(=O)O
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA7039
PubChem CID
PDB ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
6
Rings
0
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
92.70
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
0.73
Molar Refractivity
22.47
Admin
Created at
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Updated at
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