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Home > Quinoline > 685523-27-7
685523-27-7 | 8-Quinolinol, 7-[(4,5-dihydro-3-phenyl-5-isoxazolyl)methyl]-
CAS No: 685523-27-7 Catalog No: AG006337 MDL No:
Product Description
Catalog Number:
AG006337
Chemical Name:
8-Quinolinol, 7-[(4,5-dihydro-3-phenyl-5-isoxazolyl)methyl]-
CAS Number:
685523-27-7
Molecular Formula:
C19H16N2O2
Molecular Weight:
304.3425
IUPAC Name:
7-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]quinolin-8-ol
InChI:
InChI=1S/C19H16N2O2/c22-19-15(9-8-14-7-4-10-20-18(14)19)11-16-12-17(21-23-16)13-5-2-1-3-6-13/h1-10,16,22H,11-12H2
InChI Key:
VUTVDKWQKIKTIS-UHFFFAOYSA-N
SMILES:
Oc1c(ccc2c1nccc2)CC1ON=C(C1)c1ccccc1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.349g/mol
Monoisotopic Mass:
304.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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