Home Nitriles 2-butyl-2-(hydroxyMethyl)hexanenitrile

2-butyl-2-(hydroxyMethyl)hexanenitrile

CAS No.:
83576-49-2
Catalog Number:
AG00G3ME
Molecular Formula:
C11H21NO
Molecular Weight:
183.2905
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Product Description
Catalog Number:
AG00G3ME
Chemical Name:
2-butyl-2-(hydroxyMethyl)hexanenitrile
CAS Number:
83576-49-2
Molecular Formula:
C11H21NO
Molecular Weight:
183.2905
MDL Number:
MFCD18207046
IUPAC Name:
2-butyl-2-(hydroxymethyl)hexanenitrile
InChI:
InChI=1S/C11H21NO/c1-3-5-7-11(9-12,10-13)8-6-4-2/h13H,3-8,10H2,1-2H3
InChI Key:
DIXNGGUDUAVOMB-UHFFFAOYSA-N
SMILES:
CCCCC(CCCC)(C#N)CO
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.162g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.295g/mol
Monoisotopic Mass:
183.162g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties