112-47-0
Product Name:
1,10-Decanediol
Formula:
C10H22O2
Synonyms:
1,10-Decanediol;Decamethylene glycol
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CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid; [Merck Index] White solid; [Sigma-Aldrich MSDS] |
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Kovats Retention Index | 1518 1524.1 |
Chemical Classes | Other Classes -> Alcohols and Polyols, Other |
COMPUTED DESCRIPTORS
Molecular Weight | 174.28 g/mol |
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XLogP3 | 2.5 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 9 |
Exact Mass | 174.161979940 g/mol |
Monoisotopic Mass | 174.161979940 g/mol |
Topological Polar Surface Area | 40.5 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 64.2 |
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
1,10-Decanediol is a natural product found in Perilla frutescens with data available.