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89847-82-5 | Phenol, 2-(8-methoxy-2-quinolinyl)-
CAS No: 89847-82-5 Catalog No: AG003XGD MDL No:
Product Description
Catalog Number:
AG003XGD
Chemical Name:
Phenol, 2-(8-methoxy-2-quinolinyl)-
CAS Number:
89847-82-5
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
2-(8-methoxyquinolin-2-yl)phenol
InChI:
InChI=1S/C16H13NO2/c1-19-15-8-4-5-11-9-10-13(17-16(11)15)12-6-2-3-7-14(12)18/h2-10,18H,1H3
InChI Key:
DYZJBMGGXKGAAH-UHFFFAOYSA-N
SMILES:
COc1cccc2c1nc(cc2)c1ccccc1O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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