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89836-49-7 | Quinoline, 6-methyl-3-(phenylmethyl)-
CAS No: 89836-49-7 Catalog No: AG003XP2 MDL No:
Product Description
Catalog Number:
AG003XP2
Chemical Name:
Quinoline, 6-methyl-3-(phenylmethyl)-
CAS Number:
89836-49-7
Molecular Formula:
C17H15N
Molecular Weight:
233.3077
IUPAC Name:
3-benzyl-6-methylquinoline
InChI:
InChI=1S/C17H15N/c1-13-7-8-17-16(9-13)11-15(12-18-17)10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3
InChI Key:
BUSNPVNLPYTBJH-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)cc(cn2)Cc1ccccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.12g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.314g/mol
Monoisotopic Mass:
233.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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