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13040-03-4

13040-03-4 structural image
Product Name: (1S)-(+)-CIS-VERBENOL
Formula: C10H16O
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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

COMPUTED DESCRIPTORS

Molecular Weight 152.23 g/mol
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.