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878276-91-6 | Quinoline, 6-(4-methoxyphenyl)-
CAS No: 878276-91-6 Catalog No: AG004H82 MDL No:
Product Description
Catalog Number:
AG004H82
Chemical Name:
Quinoline, 6-(4-methoxyphenyl)-
CAS Number:
878276-91-6
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
IUPAC Name:
6-(4-methoxyphenyl)quinoline
InChI:
InChI=1S/C16H13NO/c1-18-15-7-4-12(5-8-15)13-6-9-16-14(11-13)3-2-10-17-16/h2-11H,1H3
InChI Key:
NHTSSCYRGSBGJL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1ccc2c(c1)cccn2
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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