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489-86-1

489-86-1 structural image
Product Name: (-)-GUAIOL
Formula: C15H26O
Synonyms: (3R,6S,10S)-6,10,α,α-Tetramethylbicyclo[5.3.0]dec-1(7)-ene-3-methanol
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 146.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

COMPUTED DESCRIPTORS

Molecular Weight 222.37 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 222.198365449 g/mol
Monoisotopic Mass 222.198365449 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 301
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Guaiol is a guaiane sesquiterpenoid.