CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 996 999 996 998 995 996 1002.04 1005.2 1008.36 1011.43 1014.46 985.96 988.45 991.06 993.75 996.47 999.01 1002 1001.6 996 1001 983 1002 996 998 983 984 1008 998 997 991 981 983 1013 1001 1010 1013 998 984 |
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COMPUTED DESCRIPTORS
Molecular Weight | 136.23 g/mol |
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XLogP3 | 2.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 0 |
Exact Mass | 136.125200510 g/mol |
Monoisotopic Mass | 136.125200510 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 10 |
Formal Charge | 0 |
Complexity | 186 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 2 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3,7,7-Trimethylbicyclo[4.1.0]hept-2-ene is a monoterpenoid.