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20654-42-6 | Hexanenitrile, 2-methyl-
CAS No: 20654-42-6 Catalog No: AG002IIU MDL No:MFCD02258692
Product Description
Catalog Number:
AG002IIU
Chemical Name:
Hexanenitrile, 2-methyl-
CAS Number:
20654-42-6
Molecular Formula:
C7H13N
Molecular Weight:
111.1848
MDL Number:
MFCD02258692
IUPAC Name:
2-methylhexanenitrile
InChI:
InChI=1S/C7H13N/c1-3-4-5-7(2)6-8/h7H,3-5H2,1-2H3
InChI Key:
PZYFAYMXLISRGL-UHFFFAOYSA-N
SMILES:
CC(C#N)CCCC
Properties
Complexity:
87.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.105g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.188g/mol
Monoisotopic Mass:
111.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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