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821806-16-0 | 1,2-Propanediol, 3-(4-thiazolyloxy)-, (2R)-
CAS No: 821806-16-0 Catalog No: AG0050GR MDL No:
Product Description
Catalog Number:
AG0050GR
Chemical Name:
1,2-Propanediol, 3-(4-thiazolyloxy)-, (2R)-
CAS Number:
821806-16-0
Molecular Formula:
C6H9NO3S
Molecular Weight:
175.2056
IUPAC Name:
(2R)-3-(1,3-thiazol-4-yloxy)propane-1,2-diol
InChI:
InChI=1S/C6H9NO3S/c8-1-5(9)2-10-6-3-11-4-7-6/h3-5,8-9H,1-2H2/t5-/m1/s1
InChI Key:
UQKRTVSKWVQZHO-RXMQYKEDSA-N
SMILES:
O[C@H](CO)COc1cscn1
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
175.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.202g/mol
Monoisotopic Mass:
175.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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