CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 1111.03 1113.76 1116.45 1116.73 1119.53 1119.91 1122.95 1123.29 1126.57 1126.88 1130.41 1130.67 1134.42 1134.65 1138.6 1138.83 1143 1143.13 1147.53 1147.55 1152.23 1152.35 1157.08 1128 1136 1136 1121 1132 1135 1123 1137.8 1105 1134 1138 1122 |
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COMPUTED DESCRIPTORS
Molecular Weight | 152.23 g/mol |
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XLogP3 | 1.6 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 0 |
Exact Mass | 152.120115130 g/mol |
Monoisotopic Mass | 152.120115130 g/mol |
Topological Polar Surface Area | 20.2 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 215 |
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
cis-Verbenol is a natural product found in Echinophora tournefortii, Chrysanthemum indicum, and other organisms with data available.