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42315-99-1 | 5H-Pyrano[2,3-e]benzothiazole(9CI)
CAS No: 42315-99-1 Catalog No: AG00CXRY MDL No:
Product Description
Catalog Number:
AG00CXRY
Chemical Name:
5H-Pyrano[2,3-e]benzothiazole(9CI)
CAS Number:
42315-99-1
IUPAC Name:
5H-pyrano[2,3-e][1,3]benzothiazole
InChI:
InChI=1S/C10H7NOS/c1-2-7-3-4-8-9(11-6-13-8)10(7)12-5-1/h1-2,4-6H,3H2
InChI Key:
VXTNXFQQCLAEEK-UHFFFAOYSA-N
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.232g/mol
Monoisotopic Mass:
189.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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