Molecule

ID:89114

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₃
Molecular Mass
102.08864
Exact Mass
102.03169405
Charge
0
InChI
InChI=1S/C4H6O3/c5-3-1-4(6)7-2-3/h3,5H,1-2H2/t3-/m1/s1
InChIKey
FUDDLSHBRSNCBV-GSVOUGTGSA-N
Canonic Smiles
O[C@@H]1CC(=O)OC1
Isomeric Smiles
O1C[C@@H](CC1=O)O
Calculated Properties
JChem
Acid pKa
14.181664
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7694448
LogD (pH = 7.4)
-0.76944494
Log P
-0.7694448
Molar Refractivity
21.5156
Polarizability
8.881667
Polar Surface Area
46.53
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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