Molecule

ID:54174

General Information
Structure
MolImage
Molecular Formula
C₄H₄O₃
Molecular Mass
100.07276
Exact Mass
100.01604399
Charge
0
InChI
InChI=1S/C4H4O3/c5-3-1-4(6)7-2-3/h2,5H,1H2
InChIKey
CAYLASZFTXTSJI-UHFFFAOYSA-N
Canonic Smiles
O=C1OC=C(C1)O
Isomeric Smiles
C1(=O)OC=C(C1)O
Calculated Properties
JChem
Acid pKa
6.4717
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5533458
LogD (pH = 7.4)
-1.4849524
Log P
-0.50931656
Molar Refractivity
22.2935
Polarizability
8.626777
Polar Surface Area
46.53
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
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References
Bioactivity
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