Molecule

ID:70650

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₃
Molecular Mass
102.08864
Exact Mass
102.03169405
Charge
0
InChI
InChI=1S/C4H6O3/c1-2-7-4(6)3-5/h3H,2H2,1H3
InChIKey
DBPFRRFGLYGEJI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C=O
Isomeric Smiles
C(=O)(C=O)OCC
Calculated Properties
JChem
LogD (pH = 7.4)
0.60
LogD (pH = 5.5)
0.60
Log P
0.60
Rotatable Bonds
3
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-7.67
Polar Surface Area
43.37
Polarizability
9.33
Molar Refractivity
23.02
LOG S
-0.02
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
References
Bioactivity
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