Molecule

ID:129685

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₃
Molecular Mass
102.08864
Exact Mass
102.03169405
Charge
0
InChI
InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h1-2,5H,3H2,(H,6,7)
InChIKey
RMQJECWPWQIIPW-UHFFFAOYSA-N
Canonic Smiles
OC/C=C/C(=O)O
Isomeric Smiles
O=C(O)/C=C/CO
Calculated Properties
JChem
Acid pKa
4.4451327
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.451284
LogD (pH = 7.4)
-3.2139952
Log P
-0.36118886
Molar Refractivity
24.7396
Polarizability
9.090525
Polar Surface Area
57.53
Rotatable Bonds
2
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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