Structure Database (LMSD)

Common Name
Methylglutaric acid
Systematic Name
3-methyl-pentanedioic acid
Synonyms
LM ID
LMFA01170117
Status
Active
Exact Mass
Calculate m/z
146.05791
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

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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