Molecule

ID:104215

General Information
Structure
MolImage
Molecular Formula
C₅H₄O₃
Molecular Mass
112.08346
Exact Mass
112.01604399
Charge
0
InChI
InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h1-2H2
InChIKey
OFNISBHGPNMTMS-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)C(=C)C1
Isomeric Smiles
C=C1CC(=O)OC1=O
Calculated Properties
JChem
Acid pKa
17.1927
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.42033002
LogD (pH = 7.4)
0.42033002
Log P
0.42033002
Molar Refractivity
24.7095
Polarizability
9.90457
Polar Surface Area
43.37
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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