Structure Database (LMSD)
Common Name
2,10-dihydroxy-4,6,8-decatriynoic acid
Systematic Name
2,10-dihydroxy-4,6,8-decatriynoic acid
Synonyms
- 4,6,8-Decatriynoic acid, 2,10-dihydroxy-
LM ID
LMFA01050235
Formula
Exact Mass
Calculate m/z
192.04226
Sum Composition
Status
Active
3D model of 2,10-dihydroxy-4,6,8-decatriynoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
RPSSCYORFZCANO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H8O4/c11-8-6-4-2-1-3-5-7-9(12)10(13)14/h9,11-12H,7-8H2,(H,13,14)
SMILES (Click to copy)
C(C(O)CC#CC#CC#CCO)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
198.24
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
-0.60
Molar Refractivity
49.68
Admin
Created at
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Updated at
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