Molecule
ID:87162
General Information
Molecular Formula
C₅H₄O₄
Molecular Mass
128.08286
Exact Mass
128.01095861
Charge
0
InChI
InChI=1S/C5H4O4/c6-3-1-4(7)9-5(8)2-3/h1-2H2
InChIKey
UNBPFPUTIKOOOI-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(=O)OC(=O)C1
Isomeric Smiles
O1C(=O)CC(=O)CC1=O
Calculated Properties
JChem
Acid pKa
1.9400911
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-3.510831
LogD (pH = 7.4)
-5.3852034
Log P
0.02490871
Molar Refractivity
25.6776
Polarizability
10.346688
Polar Surface Area
60.44
Rotatable Bonds
0
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
No Data Available
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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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