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200632-02-6 | 2,4-Thiazolidinedione, 5-(1-methyl-2-phenoxyethyl)-
CAS No: 200632-02-6 Catalog No: AG002CVW MDL No:
Product Description
Catalog Number:
AG002CVW
Chemical Name:
2,4-Thiazolidinedione, 5-(1-methyl-2-phenoxyethyl)-
CAS Number:
200632-02-6
Molecular Formula:
C12H13NO3S
Molecular Weight:
251.3015
IUPAC Name:
5-(1-phenoxypropan-2-yl)-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C12H13NO3S/c1-8(10-11(14)13-12(15)17-10)7-16-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,13,14,15)
InChI Key:
STVPBRGHYXQBLZ-UHFFFAOYSA-N
SMILES:
CC(C1SC(=O)NC1=O)COc1ccccc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.3g/mol
Monoisotopic Mass:
251.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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