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29152-19-0 | 9H-Pyrano[3,2-e]benzothiazole
CAS No: 29152-19-0 Catalog No: AG002XI9 MDL No:
Product Description
Catalog Number:
AG002XI9
Chemical Name:
9H-Pyrano[3,2-e]benzothiazole
CAS Number:
29152-19-0
Molecular Formula:
C10H7NOS
Molecular Weight:
189.2337
IUPAC Name:
9H-pyrano[3,2-e][1,3]benzothiazole
InChI:
InChI=1S/C10H7NOS/c1-2-7-8(12-5-1)3-4-9-10(7)11-6-13-9/h1,3-6H,2H2
InChI Key:
HAOAWNPZCWBFIN-UHFFFAOYSA-N
SMILES:
C1C=COc2c1c1ncsc1cc2
Properties
Complexity:
231
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:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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