Molecule

ID:89338

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₃
Molecular Mass
104.10452
Exact Mass
104.04734412
Charge
0
InChI
InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)
InChIKey
BWLBGMIXKSTLSX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(O)(C)C
Isomeric Smiles
O=C(O)C(C)(C)O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.23
LogD (pH = 5.5)
-1.60
Log P
-0.04
Rotatable Bonds
1
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.95
Polar Surface Area
57.53
Polarizability
9.86
Molar Refractivity
23.55
LOG S
0.17
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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