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656234-51-4 | Acetamide, N-[3-(1,2-dihydro-5-hydroxy-1-oxo-4-isoquinolinyl)phenyl]-
CAS No: 656234-51-4 Catalog No: AG006QH1 MDL No:
Product Description
Catalog Number:
AG006QH1
Chemical Name:
Acetamide, N-[3-(1,2-dihydro-5-hydroxy-1-oxo-4-isoquinolinyl)phenyl]-
CAS Number:
656234-51-4
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
IUPAC Name:
N-[3-(5-hydroxy-1-oxo-2H-isoquinolin-4-yl)phenyl]acetamide
InChI:
InChI=1S/C17H14N2O3/c1-10(20)19-12-5-2-4-11(8-12)14-9-18-17(22)13-6-3-7-15(21)16(13)14/h2-9,21H,1H3,(H,18,22)(H,19,20)
InChI Key:
LKRJDDBBACEQQU-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc(c1)c1c[nH]c(=O)c2c1c(O)ccc2
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
294.31g/mol
Monoisotopic Mass:
294.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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