Nonanenitrile

CAT: 0024-sc-228841Size: 25 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-228841Size:25 mL

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CAS Number

2243-27-8

Chemical Information

Nonanenitrile

CAS Number	2243-27-8
PubChem CID	16715
IUPAC Name	nonanenitrile
Molecular Formula	C9H17N
Molecular Weight	139.24
XLogP	3.1
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Heavy Atom Count	10
Formal Charge	0
Complexity	98

SMILES

CCCCCCCCC#N

InChI

InChI=1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3

InChIKey

PLZZPPHAMDJOSR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2243-27-8

CID: 16715

Formula: C9H17N

MW: 139.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	139.24
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	139.136099547
Monoisotopic Mass	139.136099547
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	98.5
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

Catalog	Name
sc-484212	3-Methyl-2-nonenenitrile
sc-484308	3-Methyl-2-nonenenitrile-d11

Catalog	Name
OR1029584-01	Nonanenitrile