CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Yellow liquid; [Alfa Aesar MSDS] |
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Kovats Retention Index | 1281 1282 1284 1285 |
Chemical Classes | Other Classes -> Ethers, Other |
COMPUTED DESCRIPTORS
Molecular Weight | 180.29 g/mol |
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XLogP3 | 5.3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 7 |
Exact Mass | 180.151415257 g/mol |
Monoisotopic Mass | 180.151415257 g/mol |
Topological Polar Surface Area | 13.1 Ų |
Heavy Atom Count | 13 |
Formal Charge | 0 |
Complexity | 112 |
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
2-octylfuran is a member of the class of furans that is furan substituted by an octyl group at position 2. It has a role as a flavouring agent, a plant metabolite, a Maillard reaction product and a mammalian metabolite.