Molecule

ID:112251

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₄
Molecular Mass
118.08804
Exact Mass
118.02660867
Charge
0
InChI
InChI=1S/C4H6O4/c5-3-7-1-2-8-4-6/h3-4H,1-2H2
InChIKey
IKCQWKJZLSDDSS-UHFFFAOYSA-N
Canonic Smiles
O=COCCOC=O
Isomeric Smiles
O=COCCOC=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.42382568
LogD (pH = 7.4)
-0.42382568
Log P
-0.42382568
Molar Refractivity
23.8756
Polarizability
9.824232
Polar Surface Area
52.6
Rotatable Bonds
5
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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