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89878-45-5 | Pyridine, 4-[3-(4-phenoxyphenoxy)-1-propynyl]-
CAS No: 89878-45-5 Catalog No: AG00H76T MDL No:
Product Description
Catalog Number:
AG00H76T
Chemical Name:
Pyridine, 4-[3-(4-phenoxyphenoxy)-1-propynyl]-
CAS Number:
89878-45-5
Molecular Formula:
C20H15NO2
Molecular Weight:
301.3386
IUPAC Name:
4-[3-(4-phenoxyphenoxy)prop-1-ynyl]pyridine
InChI:
InChI=1S/C20H15NO2/c1-2-6-19(7-3-1)23-20-10-8-18(9-11-20)22-16-4-5-17-12-14-21-15-13-17/h1-3,6-15H,16H2
InChI Key:
XQTQXJAKUKFZGT-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Oc1ccc(cc1)OCC#Cc1ccncc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.11g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.345g/mol
Monoisotopic Mass:
301.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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