Structure Database (LMSD)
Common Name
3-hydroxybut-2-enoic acid
Systematic Name
3-hydroxybut-2-enoic acid
Synonyms
3D model of 3-hydroxybut-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)
NVPCGXUWUBHZBD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2,5H,1H3,(H,6,7)
SMILES (Click to copy)
CC(O)=CC(O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
98.85
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
0.53
Molar Refractivity
24.02
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Created at
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Updated at
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