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141037-40-3 | 2,4-Thiazolidinedione, 3-(2-hydroxy-3-phenoxypropyl)-
CAS No: 141037-40-3 Catalog No: AG001FRG MDL No:
Product Description
Catalog Number:
AG001FRG
Chemical Name:
2,4-Thiazolidinedione, 3-(2-hydroxy-3-phenoxypropyl)-
CAS Number:
141037-40-3
Molecular Formula:
C12H13NO4S
Molecular Weight:
267.3009
IUPAC Name:
3-(2-hydroxy-3-phenoxypropyl)-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C12H13NO4S/c14-9(6-13-11(15)8-18-12(13)16)7-17-10-4-2-1-3-5-10/h1-5,9,14H,6-8H2
InChI Key:
XQCRYWQRHJXRGX-UHFFFAOYSA-N
SMILES:
OC(CN1C(=O)CSC1=O)COc1ccccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.299g/mol
Monoisotopic Mass:
267.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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