CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 1213 |
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SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Corrosion Corrosives GHS05 |
GHS Hazard Statements |
H318:Serious eye damage/eye irritation H413:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 166.30 g/mol |
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XLogP3 | 5.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 8 |
Exact Mass | 166.172150702 g/mol |
Monoisotopic Mass | 166.172150702 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 115 |
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-Dodecyne is a natural product found in Houttuynia cordata and Panax ginseng with data available.