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Home > Pyridines > 885949-68-8
885949-68-8 | 2-(hept-1-yn-1-yl)pyridine-3-carbonitrile
CAS No: 885949-68-8 Catalog No: AG00IPZA MDL No:MFCD07366547
Product Description
Catalog Number:
AG00IPZA
Chemical Name:
2-(hept-1-yn-1-yl)pyridine-3-carbonitrile
CAS Number:
885949-68-8
Molecular Formula:
C13H14N2
Molecular Weight:
198.2637
MDL Number:
MFCD07366547
IUPAC Name:
2-hept-1-ynylpyridine-3-carbonitrile
InChI:
InChI=1S/C13H14N2/c1-2-3-4-5-6-9-13-12(11-14)8-7-10-15-13/h7-8,10H,2-5H2,1H3
InChI Key:
MNLLOCXHRPLHBA-UHFFFAOYSA-N
SMILES:
CCCCCC#Cc1ncccc1C#N
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.269g/mol
Monoisotopic Mass:
198.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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