CID 54220 - PubChem

Compound Summary (CID 54220)

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Compound Information

Properties and Descriptors

Old Version Substance Information

2D Structure
3D Conformer

Compound Information

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CID 54220

Create Date: 2005-08-08

Suppressed Compound

Properties and Descriptors

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Properties
Molecular Weight		290.717809 [g/mol]
Molecular Formula		C₁₄H₁₆ClNaO₃
H-Bond Donor		0
H-Bond Acceptor		3
Rotatable Bond Count		6

Exact Mass		290.068566
MonoIsotopic Mass		290.068566
Topological Polar Surface Area		52.7
Heavy Atom Count		19
Formal Charge		0
Complexity		281
Isotope Atom Count		0
Defined Atom Stereocenter Count		0
Undefined Atom Stereocenter Count		1
Defined Bond Stereocenter Count		0
Undefined Bond Stereocenter Count		0
Covalently-Bonded Unit Count		2

Descriptors
IUPAC Name
Canonical SMILES
Isomeric SMILES

Old Version Substance Information

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SID 191849, Version: 1, Same
SID 191849, Version: 2, Same
SID 8183541, Version: 1, Same