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189254-22-6 | Ethanone, 1-(9-amino-1-hydroxy-2-acridinyl)-2-(methylsulfinyl)-
CAS No: 189254-22-6 Catalog No: AG002I4V MDL No:
Product Description
Catalog Number:
AG002I4V
Chemical Name:
Ethanone, 1-(9-amino-1-hydroxy-2-acridinyl)-2-(methylsulfinyl)-
CAS Number:
189254-22-6
Molecular Formula:
C16H14N2O3S
Molecular Weight:
314.3590
IUPAC Name:
1-(9-amino-1-hydroxyacridin-2-yl)-2-methylsulfinylethanone
InChI:
InChI=1S/C16H14N2O3S/c1-22(21)8-13(19)10-6-7-12-14(16(10)20)15(17)9-4-2-3-5-11(9)18-12/h2-7,20H,8H2,1H3,(H2,17,18)
InChI Key:
DRVVUVXFNGOCQV-UHFFFAOYSA-N
SMILES:
CS(=O)CC(=O)c1ccc2c(c1O)c(N)c1c(n2)cccc1
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.359g/mol
Monoisotopic Mass:
314.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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