Home Nitriles 3-Ethylbenzonitrile

3-Ethylbenzonitrile

CAS No.:
34136-57-7
Catalog Number:
AG007HBN
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$80
- +
1g
≥ 98% (GC)
1 week
United States
$136
- +
5g
≥ 98% (GC)
1 week
United States
$431
- +
25g
≥ 98% (GC)
1 week
United States
$1325
- +
Product Description
Catalog Number:
AG007HBN
Chemical Name:
3-Ethylbenzonitrile
CAS Number:
34136-57-7
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
MDL Number:
MFCD00045601
IUPAC Name:
3-ethylbenzonitrile
InChI:
InChI=1S/C9H9N/c1-2-8-4-3-5-9(6-8)7-10/h3-6H,2H2,1H3
InChI Key:
WEDBHNMGFLTQNC-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1)C#N
UNII:
920IKI3200
NSC Number:
86573
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties