Structure Database (LMSD)
Common Name
Methylglutaric acid
Systematic Name
3-methyl-pentanedioic acid
Synonyms
3D model of Methylglutaric 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)
XJMMNTGIMDZPMU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
SMILES (Click to copy)
C(=O)(O)CC(C)CC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
142.24
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
0.57
Molar Refractivity
33.67
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Created at
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Updated at
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