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non-2-ynenitrile

non-2-ynenitrile structure

CAS No:
73542-36-6
Formula:
C9H13N
Chemical Name:
non-2-ynenitrile
Synonyms:
2-NONYNENITRILE;73542-36-6;non-2-ynenitrile;BRN 1753766;Hexylpropiolique nitrile [French];Hexylpropiolique nitrile;0-02-00-00490 (Beilstein Handbook Reference);SCHEMBL7934642;DTXSID90223741

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non-2-ynenitrile Basic Attributes

Molecular Weight：

135.21 g/mol

Exact Mass：

135.104799419 g/mol

DSSTox ID：

DTXSID90223741

Characteristics

PSA：

23.8 Å²

XLogP3：

2.48378

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LDLo - Lowest published lethal dose	Subcutaneous	Rodent - guinea pig	140 mg/kg	Details of toxic effects not reported other than lethal dose value--	Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. (Paris, France) V.1-261, 1835-1965. For publisher information, see CRASEV. Volume(issue)/page/year: 153,895,1911

Computed Properties

Molecular Weight:135.21
XLogP3:3.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:135.104799419
Monoisotopic Mass:135.104799419
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of non-2-ynenitrile

Basic Attributes
Characteristics
Toxicity
Computed Properties

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