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6345-71-7 | 2-(3H-benzothiazol-2-ylidene)indene-1,3-dione
CAS No: 6345-71-7 Catalog No: AG00EWI0 MDL No:
Product Description
Catalog Number:
AG00EWI0
Chemical Name:
2-(3H-benzothiazol-2-ylidene)indene-1,3-dione
CAS Number:
6345-71-7
IUPAC Name:
2-(1,3-benzothiazol-2-yl)-3-hydroxyinden-1-one
InChI:
InChI=1S/C16H9NO2S/c18-14-9-5-1-2-6-10(9)15(19)13(14)16-17-11-7-3-4-8-12(11)20-16/h1-8,18H
InChI Key:
DQSAUGZXTDZDTL-UHFFFAOYSA-N
NSC Number:
43581
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.035g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.313g/mol
Monoisotopic Mass:
279.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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