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100480-81-7 | 3-(5-hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol
CAS No: 100480-81-7 Catalog No: AG009QF2 MDL No:
Product Description
Catalog Number:
AG009QF2
Chemical Name:
3-(5-hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol
CAS Number:
100480-81-7
IUPAC Name:
2-(3-hydroxypropyl)-4,6,7-trimethyl-1,3-benzoxathiol-5-ol
InChI:
InChI=1S/C13H18O3S/c1-7-8(2)12-13(9(3)11(7)15)17-10(16-12)5-4-6-14/h10,14-15H,4-6H2,1-3H3
InChI Key:
NFFALUZFTIOAOV-UHFFFAOYSA-N
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.344g/mol
Monoisotopic Mass:
254.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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