Structure Database (LMSD)

Common Name
10-hydroxy-8E-Decene-2,4,6-triynoic acid
Systematic Name
10-hydroxy-8E-Decene-2,4,6-triynoic acid
Synonyms
LM ID
LMFA01030714
Formula
Exact Mass
Calculate m/z
176.047345
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
XHUBNORIRAJQLO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H8O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,5,7,9H2,(H,12,13)
SMILES (Click to copy)
C(C#CC#CC#CCCCO)(=O)O

Other Databases

LIPIDAT ID
4556
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 189.45
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 0.14
Molar Refractivity 47.77

Admin

Created at
-
Updated at
-