Compound Information
CID 14774
Create Date: 2004-09-16
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 31.9988 [g/mol]
Molecular FormulaO2-2
XLogP3-AA-1.1
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count0
Exact Mass31.989829
MonoIsotopic Mass31.989829
Topological Polar Surface Area46.1
Heavy Atom Count2
Formal Charge-2
Complexity0
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Effective Rotor Count0
Conformer Sampling RMSD0.4
CID Conformer Count1
Descriptors
IUPAC Name
Canonical SMILES
Isomeric SMILES
Old Version Substance Information