Structure Database (LMSD)
Common Name
Succinic acid semialdehyde
Systematic Name
4-oxo-butanoic acid
Synonyms
LM ID
LMFA06000118
Formula
Exact Mass
Calculate m/z
102.031695
Sum Composition
Status
Active
3D model of Succinic acid semialdehyde
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
UIUJIQZEACWQSV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)
SMILES (Click to copy)
C(=O)(O)CCC=O
References
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
98.85
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
0.05
Molar Refractivity
22.93
Admin
Created at
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Updated at
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