Molecule

ID:102981

General Information
Structure
MolImage
Molecular Formula
C₄H₂O₃
Molecular Mass
98.05688
Exact Mass
98.00039392
Charge
0
InChI
InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H
InChIKey
FPYJFEHAWHCUMM-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)O1
Isomeric Smiles
O=C1OC(=O)C=C1
Calculated Properties
JChem
LogD (pH = 7.4)
0.09
LogD (pH = 5.5)
0.09
Log P
0.09
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-6.77
Polar Surface Area
43.37
Polarizability
7.60
Molar Refractivity
21.40
LOG S
-1.02
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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