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1079-01-2

1079-01-2 structural image
Product Name: FEMA 3765
Formula: C12H18O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless mobile liquid; pleasant, refreshing, sweet-herbaceous and very slightly spicy-warm odour of moderate tenacity.
Solubility Soluble in triacetin, propylene
Density 0.987-0.996
Refractive Index 1.470-1.477

COMPUTED DESCRIPTORS

Molecular Weight 194.27 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 194.130679813 g/mol
Monoisotopic Mass 194.130679813 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 289
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, 2-acetate, (1S,5R)- is a natural product found in Artemisia annua and Apium graveolens with data available.