CHEMICAL AND PHYSICAL PROPERTIES
Boiling Point | 185.00 to 186.00 °C. @ 760.00 mm Hg |
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Kovats Retention Index | 1090 1104 1130 1132 1132 1134 1132 1138 1138 1133 1134 1134 1134 |
COMPUTED DESCRIPTORS
Molecular Weight | 172.26 g/mol |
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XLogP3 | 3.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 7 |
Exact Mass | 172.146329876 g/mol |
Monoisotopic Mass | 172.146329876 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 119 |
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
3-Methylbutyl pentanoate is a fatty acid ester.