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88940-63-0 | 3-Pyridinehexanenitrile
CAS No: 88940-63-0 Catalog No: AG0048E5 MDL No:
Product Description
Catalog Number:
AG0048E5
Chemical Name:
3-Pyridinehexanenitrile
CAS Number:
88940-63-0
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
IUPAC Name:
6-pyridin-3-ylhexanenitrile
InChI:
InChI=1S/C11H14N2/c12-8-4-2-1-3-6-11-7-5-9-13-10-11/h5,7,9-10H,1-4,6H2
InChI Key:
BDWLCDCPUURZCF-UHFFFAOYSA-N
SMILES:
N#CCCCCCc1cccnc1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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