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78471-84-8 | 4-(3-oxo-1,2-benzisothiazol-2(3H)-yl)benzoic acid
CAS No: 78471-84-8 Catalog No: AG00G8HU MDL No:
Product Description
Catalog Number:
AG00G8HU
Chemical Name:
4-(3-oxo-1,2-benzisothiazol-2(3H)-yl)benzoic acid
CAS Number:
78471-84-8
IUPAC Name:
4-(3-oxo-1,2-benzothiazol-2-yl)benzoic acid
InChI:
InChI=1S/C14H9NO3S/c16-13-11-3-1-2-4-12(11)19-15(13)10-7-5-9(6-8-10)14(17)18/h1-8H,(H,17,18)
InChI Key:
HXZYYVZWDFYNFZ-UHFFFAOYSA-N
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.03g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.29g/mol
Monoisotopic Mass:
271.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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