1-Nonyne

1-Nonyne
Compound Structure:
Synonyms: 1-NONYNE;3452-09-3;non-1-yne;Nonyne;1-Nonyne
Compound ID: NMPC-106
PubChem ID:

18937

Molecular Formula: C9H16
Canonical SMILES: CCCCCCCC#C
InChIKey: OSSQSXOTMIGBCF-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

H304 (11.36%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

H315 (90.91%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (90.91%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]


Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

124.22 g/mol

XLogP3-AA

4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

5

Exact Mass

124.125200510 g/mol

Monoisotopic Mass

124.125200510 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

9

Formal Charge

0

Complexity

83.5

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

Source: PubChem

Source Species: Acanthus montanus
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