CHEMICAL AND PHYSICAL PROPERTIES
Boiling Point | 196.00 to 197.00 °C. @ 760.00 mm Hg |
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Kovats Retention Index | 1096.3 1097.5 1124 1124 1100 1095 1100 |
COMPUTED DESCRIPTORS
Molecular Weight | 152.23 g/mol |
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XLogP3 | 2.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 1 |
Exact Mass | 152.120115130 g/mol |
Monoisotopic Mass | 152.120115130 g/mol |
Topological Polar Surface Area | 17.1 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 189 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Alpha-Cyclocitral is an organooxygen compound.