Molecule

ID:2660

General Information
Structure
MolImage
Molecular Formula
C₃H₄O₄
Molecular Mass
104.06146
Exact Mass
104.01095861
Charge
0
InChI
InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)
InChIKey
HHDDCCUIIUWNGJ-UHFFFAOYSA-N
Canonic Smiles
OCC(=O)C(=O)O
Isomeric Smiles
OCC(=O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.26
LogD (pH = 5.5)
-3.59
Log P
-0.75
Rotatable Bonds
2
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
2.57
Polar Surface Area
74.60
Polarizability
8.18
Molar Refractivity
19.69
LOG S
0.26
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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