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89295-70-5 | 2,4-Thiazolidinedione, 5-ethyl-5-methyl-3-(2-propenyl)-
CAS No: 89295-70-5 Catalog No: AG003ZVS MDL No:
Product Description
Catalog Number:
AG003ZVS
Chemical Name:
2,4-Thiazolidinedione, 5-ethyl-5-methyl-3-(2-propenyl)-
CAS Number:
89295-70-5
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
IUPAC Name:
5-ethyl-5-methyl-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C9H13NO2S/c1-4-6-10-7(11)9(3,5-2)13-8(10)12/h4H,1,5-6H2,2-3H3
InChI Key:
VENHGTJBBGDTIK-UHFFFAOYSA-N
SMILES:
C=CCN1C(=O)SC(C1=O)(C)CC
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.268g/mol
Monoisotopic Mass:
199.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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