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89878-43-3 | Pyridine, 2-[3-(4-phenoxyphenoxy)-1-butynyl]-
CAS No: 89878-43-3 Catalog No: AG00H76U MDL No:
Product Description
Catalog Number:
AG00H76U
Chemical Name:
Pyridine, 2-[3-(4-phenoxyphenoxy)-1-butynyl]-
CAS Number:
89878-43-3
Molecular Formula:
C21H17NO2
Molecular Weight:
315.3652
IUPAC Name:
2-[3-(4-phenoxyphenoxy)but-1-ynyl]pyridine
InChI:
InChI=1S/C21H17NO2/c1-17(10-11-18-7-5-6-16-22-18)23-20-12-14-21(15-13-20)24-19-8-3-2-4-9-19/h2-9,12-17H,1H3
InChI Key:
AZVKXFLSOPPHGJ-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1)Oc1ccccc1)C#Cc1ccccn1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.372g/mol
Monoisotopic Mass:
315.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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