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89295-50-1 | 2,4-Thiazolidinedione, 5,5-dimethyl-3-(2-propenyl)-
CAS No: 89295-50-1 Catalog No: AG0040DF MDL No:
Product Description
Catalog Number:
AG0040DF
Chemical Name:
2,4-Thiazolidinedione, 5,5-dimethyl-3-(2-propenyl)-
CAS Number:
89295-50-1
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
IUPAC Name:
5,5-dimethyl-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C8H11NO2S/c1-4-5-9-6(10)8(2,3)12-7(9)11/h4H,1,5H2,2-3H3
InChI Key:
CXJHVZICXOPGIG-UHFFFAOYSA-N
SMILES:
C=CCN1C(=O)SC(C1=O)(C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.241g/mol
Monoisotopic Mass:
185.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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