Molecule

ID:76923

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₃
Molecular Mass
102.08864
Exact Mass
102.03169405
Charge
0
InChI
InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3/t3-/m0/s1
InChIKey
RUOJZAUFBMNUDX-VKHMYHEASA-N
Canonic Smiles
C[C@H]1COC(=O)O1
Isomeric Smiles
O1[C@H](COC1=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.78688955
LogD (pH = 7.4)
0.78688955
Log P
0.78688955
Molar Refractivity
21.4862
Polarizability
8.946674
Polar Surface Area
35.53
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
References
Bioactivity
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