Structure Database (LMSD)

Common Name
6-hydroxy-heptanoic acid
Systematic Name
6-hydroxy-heptanoic acid
Synonyms
LM ID
LMFA01050225
Formula
Exact Mass
Calculate m/z
146.094295
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
UBIZMIFHVVCVEJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O3/c1-6(8)4-2-3-5-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)
SMILES (Click to copy)
C(CCCCC(O)C)(=O)O

References

Other Databases

LIPIDAT ID
4691
CHEBI 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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Created at
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Updated at
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