CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | colourless liquid |
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Boiling Point | 191.00 to 195.00 °C. @ 760.00 mm Hg |
Density | 0.852-0.857 |
Refractive Index | 1.394 |
Kovats Retention Index | 1089 1094 1089 1092 |
COMPUTED DESCRIPTORS
Molecular Weight | 172.26 g/mol |
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XLogP3 | 3.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 6 |
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 | 130 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-Methylbutyl 3-methylbutanoate is a fatty acid ester.