Home Nitriles tetramethylcyclopropane-1-carbonitrile

tetramethylcyclopropane-1-carbonitrile

CAS No.:
80799-19-5
Catalog Number:
AG01BXTT
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
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Product Description
Catalog Number:
AG01BXTT
Chemical Name:
tetramethylcyclopropane-1-carbonitrile
CAS Number:
80799-19-5
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
MDL Number:
MFCD21783751
IUPAC Name:
2,2,3,3-tetramethylcyclopropane-1-carbonitrile
InChI:
InChI=1S/C8H13N/c1-7(2)6(5-9)8(7,3)4/h6H,1-4H3
InChI Key:
RKURKRQKAOQDBG-UHFFFAOYSA-N
SMILES:
N#CC1C(C1(C)C)(C)C
Properties
Complexity:
166  
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:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties