Structure Database (LMSD)

Common Name
2-hydroxy enanthoic acid
Systematic Name
2-hydroxy-heptanoic acid
Synonyms
LM ID
LMFA01050016
Status
Active
Exact Mass
Calculate m/z
146.094295
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)
RGMMREBHCYXQMA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O3/c1-2-3-4-5-6(8)7(9)10/h6,8H,2-5H2,1H3,(H,9,10)
SMILES (Click to copy)
C(CCCC)C(O)C(=O)O

References

Other Databases

CHEBI ID
LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 153.39
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 1.30
Molar Refractivity 38.30

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Updated at
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