CHEMICAL AND PHYSICAL PROPERTIES
Boiling Point | 82.00 to 85.00 °C. @ 5.00 mm Hg |
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Kovats Retention Index | 1231 1236 1239 1238 1221 1254 1263 1241 1248 1260 1230 1230 1239 1232 1241.8 1243 |
COMPUTED DESCRIPTORS
Molecular Weight | 162.18 g/mol |
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XLogP3 | 2.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 4 |
Exact Mass | 162.068079557 g/mol |
Monoisotopic Mass | 162.068079557 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 157 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
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
Allyl benzoate is a benzoate ester.