Structure Database (LMSD)

Common Name
6-hydroxy-2-hexynoic acid
Systematic Name
6-hydroxy-2-hexynoic acid
Synonyms
  • 2-Hexynoic acid, 6-hydroxy-
LM ID
LMFA01050273
Formula
Exact Mass
Calculate m/z
128.047345
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
FMIGBDLVHMCZSR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H8O3/c7-5-3-1-2-4-6(8)9/h7H,1,3,5H2,(H,8,9)
SMILES (Click to copy)
C(C#CCCCO)(=O)O

Other Databases

LIPIDAT ID
4743
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 130.81
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 0.13
Molar Refractivity 32.22

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Created at
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Updated at
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