Home Nitriles 3-methylcyclopentane-1-carbonitrile, Mixture of diastereomers

3-methylcyclopentane-1-carbonitrile, Mixture of diastereomers

CAS No.:
1340446-08-3
Catalog Number:
AG019RSC
Molecular Formula:
C7H11N
Molecular Weight:
109.1689
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Product Description
Catalog Number:
AG019RSC
Chemical Name:
3-methylcyclopentane-1-carbonitrile, Mixture of diastereomers
CAS Number:
1340446-08-3
Molecular Formula:
C7H11N
Molecular Weight:
109.1689
MDL Number:
MFCD20318277
IUPAC Name:
3-methylcyclopentane-1-carbonitrile
InChI:
InChI=1S/C7H11N/c1-6-2-3-7(4-6)5-8/h6-7H,2-4H2,1H3
InChI Key:
KJGOFSOLQOWBSX-UHFFFAOYSA-N
SMILES:
N#CC1CCC(C1)C
Properties
Complexity:
120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.089g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
109.172g/mol
Monoisotopic Mass:
109.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties