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
Main
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
References
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
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Created at
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Updated at
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