Structure Database (LMSD)
Common Name
Propyl 2-furanacrylate
Systematic Name
propyl (2Z)-3-(furan-2-yl)prop-2-enoate
Synonyms
LM ID
LMFA07011002
Formula
Exact Mass
Calculate m/z
180.078645
Sum Composition
Status
Active
3D model of Propyl 2-furanacrylate
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)
RRFBKGHLBNBFGL-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C10H12O3/c1-2-7-13-10(11)6-5-9-4-3-8-12-9/h3-6,8H,2,7H2,1H3/b6-5-
SMILES (Click to copy)
O1C(/C=C\C(OCCC)=O)=CC=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
1
Aromatic Rings
1
Rotatable Bonds
5
Van der Waals Molecular Volume
174.11
Topological Polar Surface Area
39.44
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
2.53
Molar Refractivity
49.48
Admin
Created at
-
Updated at
6th Jun 2022