Structure Database (LMSD)
Common Name
4-hydroxy-crotonic acid
Systematic Name
4-hydroxy-2E-butenoic acid
Synonyms
3D model of 4-hydroxy-crotonic 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)
RMQJECWPWQIIPW-OWOJBTEDSA-N
InChi (Click to copy)
InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h1-2,5H,3H2,(H,6,7)/b2-1+
SMILES (Click to copy)
C(=O)(O)/C=C/CO
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
98.85
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
-0.10
Molar Refractivity
24.35
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Created at
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Updated at
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