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90785-40-3 | Quinoline, 5-(3,4-dimethoxyphenyl)-2-methyl-
CAS No: 90785-40-3 Catalog No: AG006AH4 MDL No:
Product Description
Catalog Number:
AG006AH4
Chemical Name:
Quinoline, 5-(3,4-dimethoxyphenyl)-2-methyl-
CAS Number:
90785-40-3
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
IUPAC Name:
5-(3,4-dimethoxyphenyl)-2-methylquinoline
InChI:
InChI=1S/C18H17NO2/c1-12-7-9-15-14(5-4-6-16(15)19-12)13-8-10-17(20-2)18(11-13)21-3/h4-11H,1-3H3
InChI Key:
ZNWFLJJPZQLFBP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)c1cccc2c1ccc(n2)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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