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89227-24-7 | 1,4-Naphthalenedione, 2,3-dimethoxy-5-(4-pyridinylsulfinyl)-
CAS No: 89227-24-7 Catalog No: AG0044LB MDL No:
Product Description
Catalog Number:
AG0044LB
Chemical Name:
1,4-Naphthalenedione, 2,3-dimethoxy-5-(4-pyridinylsulfinyl)-
CAS Number:
89227-24-7
Molecular Formula:
C17H13NO5S
Molecular Weight:
343.3538
IUPAC Name:
2,3-dimethoxy-5-pyridin-4-ylsulfinylnaphthalene-1,4-dione
InChI:
InChI=1S/C17H13NO5S/c1-22-16-14(19)11-4-3-5-12(13(11)15(20)17(16)23-2)24(21)10-6-8-18-9-7-10/h3-9H,1-2H3
InChI Key:
OBUFDZNOSFXETL-UHFFFAOYSA-N
SMILES:
COC1=C(OC)C(=O)c2c(C1=O)c(ccc2)S(=O)c1ccncc1
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.051g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.353g/mol
Monoisotopic Mass:
343.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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