CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colourless mobile liquid; pleasant, refreshing, sweet-herbaceous and very slightly spicy-warm odour of moderate tenacity. |
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Solubility | Soluble in triacetin, propylene |
Density | 0.987-0.996 |
Refractive Index | 1.470-1.477 |
COMPUTED DESCRIPTORS
Molecular Weight | 194.27 g/mol |
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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.