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Home > Quinoline > 115786-11-3
115786-11-3 | Quinoline, 1,2-dihydro-2,2,4-trimethyl-6-phenoxy-
CAS No: 115786-11-3 Catalog No: AG000GVN MDL No:
Product Description
Catalog Number:
AG000GVN
Chemical Name:
Quinoline, 1,2-dihydro-2,2,4-trimethyl-6-phenoxy-
CAS Number:
115786-11-3
Molecular Formula:
C18H19NO
Molecular Weight:
265.3496
IUPAC Name:
2,2,4-trimethyl-6-phenoxy-1H-quinoline
InChI:
InChI=1S/C18H19NO/c1-13-12-18(2,3)19-17-10-9-15(11-16(13)17)20-14-7-5-4-6-8-14/h4-12,19H,1-3H3
InChI Key:
LUSPQQMXRZCBGF-UHFFFAOYSA-N
SMILES:
CC1=CC(C)(C)Nc2c1cc(cc2)Oc1ccccc1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.356g/mol
Monoisotopic Mass:
265.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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