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113780-74-8 | 2,4-Thiazolidinedione, 3-hydroxy-5,5-dimethyl-
CAS No: 113780-74-8 Catalog No: AG0009N0 MDL No:
Product Description
Catalog Number:
AG0009N0
Chemical Name:
2,4-Thiazolidinedione, 3-hydroxy-5,5-dimethyl-
CAS Number:
113780-74-8
Molecular Formula:
C5H7NO3S
Molecular Weight:
161.1790
IUPAC Name:
3-hydroxy-5,5-dimethyl-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C5H7NO3S/c1-5(2)3(7)6(9)4(8)10-5/h9H,1-2H3
InChI Key:
ZCTAAFJXUQYDNW-UHFFFAOYSA-N
SMILES:
O=C1SC(C(=O)N1O)(C)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.015g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.175g/mol
Monoisotopic Mass:
161.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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