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94801-54-4 | 1,6-Bis(3-pyridyl)hexane
CAS No: 94801-54-4 Catalog No: AG01EZKC MDL No:MFCD06637743
Product Description
Catalog Number:
AG01EZKC
Chemical Name:
1,6-Bis(3-pyridyl)hexane
CAS Number:
94801-54-4
Molecular Formula:
C16H20N2
Molecular Weight:
240.3434
MDL Number:
MFCD06637743
IUPAC Name:
3-(6-pyridin-3-ylhexyl)pyridine
InChI:
InChI=1S/C16H20N2/c1(3-7-15-9-5-11-17-13-15)2-4-8-16-10-6-12-18-14-16/h5-6,9-14H,1-4,7-8H2
InChI Key:
RHEQMMSRFLHQFB-UHFFFAOYSA-N
SMILES:
C(CCc1cccnc1)CCCc1cccnc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.35g/mol
Monoisotopic Mass:
240.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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