Molecule
ID:59187
General Information
Molecular Formula
C₆H₁₀O₃
Molecular Mass
130.1418
Exact Mass
130.06299418
Charge
0
InChI
InChI=1S/C6H10O3/c1-3-5(7)6(8)9-4-2/h3-4H2,1-2H3
InChIKey
FJAKCEHATXBFJT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)CC
Isomeric Smiles
CCC(=O)C(=O)OCC
Calculated Properties
JChem
Acid pKa
17.482449
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5024451
LogD (pH = 7.4)
1.5024451
Log P
1.5024451
Molar Refractivity
32.1343
Polarizability
12.67607
Polar Surface Area
43.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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