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81760-48-7

81760-48-7 structural image
Product Name: CAFESTOL ACETATE
Formula: C22H30O4
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 169.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

COMPUTED DESCRIPTORS

Molecular Weight 358.5 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 358.21440943 g/mol
Monoisotopic Mass 358.21440943 g/mol
Topological Polar Surface Area 59.7 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 605
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 6
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes