Home Nitriles 3-Butoxypropanenitrile

3-Butoxypropanenitrile

CAS No.:
6959-71-3
Catalog Number:
AG003J5O
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
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Product Description
Catalog Number:
AG003J5O
Chemical Name:
3-Butoxypropanenitrile
CAS Number:
6959-71-3
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
MDL Number:
MFCD00045643
IUPAC Name:
3-butoxypropanenitrile
InChI:
InChI=1S/C7H13NO/c1-2-3-6-9-7-4-5-8/h2-4,6-7H2,1H3
InChI Key:
AWVNJBFNHGQUQU-UHFFFAOYSA-N
SMILES:
CCCCOCCC#N
EC Number:
230-153-0
NSC Number:
65452
Properties
Complexity:
92.3  
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:
5  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties