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OCTANENITRILE

CAS No.:
124-12-9
Catalog Number:
AG000LDM
Molecular Formula:
C8H15N
Molecular Weight:
125.2114
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Product Description
Catalog Number:
AG000LDM
Chemical Name:
OCTANENITRILE
CAS Number:
124-12-9
Molecular Formula:
C8H15N
Molecular Weight:
125.2114
MDL Number:
MFCD00001983
IUPAC Name:
octanenitrile
InChI:
InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2-7H2,1H3
InChI Key:
YSIMAPNUZAVQER-UHFFFAOYSA-N
SMILES:
CCCCCCCC#N
EC Number:
204-682-2
UNII:
D6646V87PY
NSC Number:
5513
Properties
Complexity:
88  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.12g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.215g/mol
Monoisotopic Mass:
125.12g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
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Properties