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77376-98-8 | 3H-spiro[1,3-benzothiazole-2,4'-oxane]
CAS No: 77376-98-8 Catalog No: AG00ITU3 MDL No:MFCD16140318
Product Description
Catalog Number:
AG00ITU3
Chemical Name:
3H-spiro[1,3-benzothiazole-2,4'-oxane]
CAS Number:
77376-98-8
Molecular Formula:
C11H13NOS
Molecular Weight:
207.2920
MDL Number:
MFCD16140318
IUPAC Name:
spiro[3H-1,3-benzothiazole-2,4'-oxane]
InChI:
InChI=1S/C11H13NOS/c1-2-4-10-9(3-1)12-11(14-10)5-7-13-8-6-11/h1-4,12H,5-8H2
InChI Key:
BZAXEPUVRHNBAO-UHFFFAOYSA-N
SMILES:
O1CCC2(CC1)Nc1c(S2)cccc1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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