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918518-76-0 | Quinoline, 2,6-dimethoxy-3-(phenylmethyl)-
CAS No: 918518-76-0 Catalog No: AG006PR7 MDL No:
Product Description
Catalog Number:
AG006PR7
Chemical Name:
Quinoline, 2,6-dimethoxy-3-(phenylmethyl)-
CAS Number:
918518-76-0
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
IUPAC Name:
3-benzyl-2,6-dimethoxyquinoline
InChI:
InChI=1S/C18H17NO2/c1-20-16-8-9-17-14(12-16)11-15(18(19-17)21-2)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3
InChI Key:
LDUXRVAGLBQABP-UHFFFAOYSA-N
SMILES:
COc1nc2ccc(cc2cc1Cc1ccccc1)OC
Properties
Complexity:
316
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:
4
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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