Structure Database (LMSD)
Common Name
but-2-enoic acid
Systematic Name
but-2-enoic acid
Synonyms
3D model of but-2-enoic 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)
LDHQCZJRKDOVOX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)
SMILES (Click to copy)
OC(C=CC)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
6
Rings
0
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
90.06
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
0.65
Molar Refractivity
22.45
Admin
Created at
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Updated at
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