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Home > Pyridines > 2057-42-3

2057-42-3

2057-42-3 | Pyridine, 2-[1-(2-buten-1-yl)-3-penten-1-yl]-

CAS No: 2057-42-3 Catalog No: AG002AAW MDL No:

Product Description

Catalog Number:
AG002AAW
Chemical Name:
Pyridine, 2-[1-(2-buten-1-yl)-3-penten-1-yl]-
CAS Number:
2057-42-3
Molecular Formula:
C14H19N
Molecular Weight:
201.3074
IUPAC Name:
2-[(2E,7E)-nona-2,7-dien-5-yl]pyridine
InChI:
InChI=1S/C14H19N/c1-3-5-9-13(10-6-4-2)14-11-7-8-12-15-14/h3-8,11-13H,9-10H2,1-2H3/b5-3+,6-4+
InChI Key:
XFZKOJSWZJWDEK-GGWOSOGESA-N
SMILES:
CC=CCC(c1ccccn1)CC=CC
EC Number:
218-156-5

Properties

Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
201.152g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.313g/mol
Monoisotopic Mass:
201.152g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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