Structure Database (LMSD)

Common Name
4-hydroxy-valeric acid
Systematic Name
4-hydroxy-pentanoic acid
Synonyms
LM ID
LMFA01050009
Status
Active
Exact Mass
Calculate m/z
118.062995
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)
FMHKPLXYWVCLME-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O3/c1-4(6)2-3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
SMILES (Click to copy)
C(C(O)C)CC(=O)O

References

Other Databases

LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 118.79
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 0.52
Molar Refractivity 29.06

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Created at
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Updated at
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