Home Nitriles 3-(2-Methylpropoxy)propanenitrile

3-(2-Methylpropoxy)propanenitrile

CAS No.:
58936-28-0
Catalog Number:
AG00EKQ3
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$475
- +
10g
98%
In Stock USA
United States
$738
- +
Product Description
Catalog Number:
AG00EKQ3
Chemical Name:
3-(2-Methylpropoxy)propanenitrile
CAS Number:
58936-28-0
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
MDL Number:
MFCD06252351
IUPAC Name:
3-(2-methylpropoxy)propanenitrile
InChI:
InChI=1S/C7H13NO/c1-7(2)6-9-5-3-4-8/h7H,3,5-6H2,1-2H3
InChI Key:
PHLODXGIZNXWBL-UHFFFAOYSA-N
SMILES:
N#CCCOCC(C)C
EC Number:
261-507-2
Properties
Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties