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89816-39-7 | Quinoline, 6-methyl-3-[(4-methylphenyl)methyl]-
CAS No: 89816-39-7 Catalog No: AG003XVH MDL No:
Product Description
Catalog Number:
AG003XVH
Chemical Name:
Quinoline, 6-methyl-3-[(4-methylphenyl)methyl]-
CAS Number:
89816-39-7
Molecular Formula:
C18H17N
Molecular Weight:
247.3343
IUPAC Name:
6-methyl-3-[(4-methylphenyl)methyl]quinoline
InChI:
InChI=1S/C18H17N/c1-13-3-6-15(7-4-13)10-16-11-17-9-14(2)5-8-18(17)19-12-16/h3-9,11-12H,10H2,1-2H3
InChI Key:
LMKNUCCZXZDGFQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Cc1cnc2c(c1)cc(cc2)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.341g/mol
Monoisotopic Mass:
247.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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