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1002-36-4

1002-36-4 structural image
Product Name: 2-Heptyn-1-ol
Formula: C7H12O
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H334:Sensitisation, respiratory
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 112.17 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 112.088815002 g/mol
Monoisotopic Mass 112.088815002 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 93.4
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