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825620-16-4 | 4-Quinolinol, 8-methoxy-2-phenyl-
CAS No: 825620-16-4 Catalog No: AG005DTR MDL No:
Product Description
Catalog Number:
AG005DTR
Chemical Name:
4-Quinolinol, 8-methoxy-2-phenyl-
CAS Number:
825620-16-4
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
8-methoxy-2-phenyl-1H-quinolin-4-one
InChI:
InChI=1S/C16H13NO2/c1-19-15-9-5-8-12-14(18)10-13(17-16(12)15)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,18)
InChI Key:
ITBOMYQKVMBJAP-UHFFFAOYSA-N
SMILES:
COc1cccc2c1nc(cc2O)c1ccccc1
Properties
Complexity:
371
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:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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