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2859-56-5 | Quinoline, 4-[2-(3-methoxyphenyl)ethenyl]-
CAS No: 2859-56-5 Catalog No: AG002VRS MDL No:
Product Description
Catalog Number:
AG002VRS
Chemical Name:
Quinoline, 4-[2-(3-methoxyphenyl)ethenyl]-
CAS Number:
2859-56-5
Molecular Formula:
C18H15NO
Molecular Weight:
261.3178
IUPAC Name:
4-[2-(3-methoxyphenyl)ethenyl]quinoline
InChI:
InChI=1S/C18H15NO/c1-20-16-6-4-5-14(13-16)9-10-15-11-12-19-18-8-3-2-7-17(15)18/h2-13H,1H3
InChI Key:
HNROPYQTKQXJFN-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C=Cc1ccnc2c1cccc2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.324g/mol
Monoisotopic Mass:
261.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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