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20276-45-3

20276-45-3 structural image
Product Name: COTARNINE CHLORIDE
Formula: C12H14ClNO3
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 143.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

COMPUTED DESCRIPTORS

Molecular Weight 255.70 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 255.0662210 g/mol
Monoisotopic Mass 255.0662210 g/mol
Topological Polar Surface Area 30.7 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 305
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes