Home Nitriles 2-(3,3-dimethylcyclobutyl)acetonitrile

2-(3,3-dimethylcyclobutyl)acetonitrile

CAS No.:
129415-86-7
Catalog Number:
AG01BC1L
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
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Product Description
Catalog Number:
AG01BC1L
Chemical Name:
2-(3,3-dimethylcyclobutyl)acetonitrile
CAS Number:
129415-86-7
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
MDL Number:
MFCD28954095
IUPAC Name:
2-(3,3-dimethylcyclobutyl)acetonitrile
InChI:
InChI=1S/C8H13N/c1-8(2)5-7(6-8)3-4-9/h7H,3,5-6H2,1-2H3
InChI Key:
CILLCBIISHUFGI-UHFFFAOYSA-N
SMILES:
N#CCC1CC(C1)(C)C
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.105g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.199g/mol
Monoisotopic Mass:
123.105g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties