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918647-38-8 | 1H-Indene-1,3(2H)-dione, 2-(4-oxo-4H-1,3-benzothiazin-2-yl)-
CAS No: 918647-38-8 Catalog No: AG006O7X MDL No:
Product Description
Catalog Number:
AG006O7X
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-(4-oxo-4H-1,3-benzothiazin-2-yl)-
CAS Number:
918647-38-8
Molecular Formula:
C17H9NO3S
Molecular Weight:
307.3233
IUPAC Name:
2-(4-oxo-1,3-benzothiazin-2-yl)indene-1,3-dione
InChI:
InChI=1S/C17H9NO3S/c19-14-9-5-1-2-6-10(9)15(20)13(14)17-18-16(21)11-7-3-4-8-12(11)22-17/h1-8,13H
InChI Key:
GUNJUBOOKDIIGB-UHFFFAOYSA-N
SMILES:
O=C1C(c2nc(=O)c3c(s2)cccc3)C(=O)c2c1cccc2
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.03g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.323g/mol
Monoisotopic Mass:
307.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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