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Home > Pyridines > 1171924-43-8
1171924-43-8 | 4-[2-[4-methoxy-3-[4-[2-(4-pyridinyl)ethenyl]phenoxy]phenyl]ethenyl]pyridine
CAS No: 1171924-43-8 Catalog No: AG00JS56 MDL No:
Product Description
Catalog Number:
AG00JS56
Chemical Name:
4-[2-[4-methoxy-3-[4-[2-(4-pyridinyl)ethenyl]phenoxy]phenyl]ethenyl]pyridine
CAS Number:
1171924-43-8
Molecular Formula:
C27H22N2O2
Molecular Weight:
406.4758
IUPAC Name:
4-[(Z)-2-[4-[2-methoxy-5-[(E)-2-pyridin-4-ylethenyl]phenoxy]phenyl]ethenyl]pyridine
InChI:
InChI=1S/C27H22N2O2/c1-30-26-11-8-24(5-4-23-14-18-29-19-15-23)20-27(26)31-25-9-6-21(7-10-25)2-3-22-12-16-28-17-13-22/h2-20H,1H3/b3-2-,5-4+
InChI Key:
XNOZNCQZRKZBLL-AWYLAFAOSA-N
SMILES:
COc1ccc(cc1Oc1ccc(cc1)/C=C\c1ccncc1)/C=C/c1ccncc1
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
406.168g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.485g/mol
Monoisotopic Mass:
406.168g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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