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100480-17-9 | 5-hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole
CAS No: 100480-17-9 Catalog No: AG009QDG MDL No:
Product Description
Catalog Number:
AG009QDG
Chemical Name:
5-hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole
CAS Number:
100480-17-9
IUPAC Name:
4,6,7-trimethyl-2-propyl-1,3-benzoxathiol-5-ol
InChI:
InChI=1S/C13H18O2S/c1-5-6-10-15-12-8(3)7(2)11(14)9(4)13(12)16-10/h10,14H,5-6H2,1-4H3
InChI Key:
IGGIBRSAGVJGQR-UHFFFAOYSA-N
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.345g/mol
Monoisotopic Mass:
238.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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