Structure Database (LMSD)
Common Name
5-((E)-hept-4-en-2-yne-1-one-1-yl)-2-furanacrylic acid
Systematic Name
(E)-3-(5-((E)-hept-4-en-2-ynoyl)-furan-2-yl)-acrylic acid
Synonyms
- (E)-3-(5-((E)-hept-4-en-2-yn-1-yl)-furan-2-yl)-acrylic acid
- wyerone
LM ID
LMFA01150045
Status
Active
Exact Mass
Calculate m/z
244.07356
Formula
Abbrev
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
ZLZFXXJOALTVDA-FJMRRMLCSA-N
InChi (Click to copy)
InChI=1S/C14H12O4/c1-2-3-4-5-6-12(15)13-9-7-11(18-13)8-10-14(16)17/h3-4,7-10H,2H2,1H3,(H,16,17)/b4-3+,10-8+
SMILES (Click to copy)
C(=O)(C#C/C=C/CC)C1=CC=C(/C=C/C(=O)O)O1
References
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
1
Aromatic Rings
1
Rotatable Bonds
4
Van der Waals Molecular Volume
241.54
Topological Polar Surface Area
67.51
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
2.53
Molar Refractivity
66.92
Admin
Created at
-
Updated at
-