Molecule

ID:61727

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₃
Molecular Mass
102.08864
Exact Mass
102.03169405
Charge
0
InChI
InChI=1S/C4H6O3/c5-4(6)3-1-7-2-3/h3H,1-2H2,(H,5,6)
InChIKey
UWOTZNQZPLAURK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1COC1
Isomeric Smiles
O1CC(C1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9683068
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.919595
LogD (pH = 7.4)
-3.5566278
Log P
-0.37966233
Molar Refractivity
21.8844
Polarizability
8.720185
Polar Surface Area
46.53
Rotatable Bonds
1
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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