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89295-75-0 | 2,4-Thiazolidinedione, 3-(2-butenyl)-5,5-dimethyl-
CAS No: 89295-75-0 Catalog No: AG003ZVQ MDL No:
Product Description
Catalog Number:
AG003ZVQ
Chemical Name:
2,4-Thiazolidinedione, 3-(2-butenyl)-5,5-dimethyl-
CAS Number:
89295-75-0
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
IUPAC Name:
3-but-2-enyl-5,5-dimethyl-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C9H13NO2S/c1-4-5-6-10-7(11)9(2,3)13-8(10)12/h4-5H,6H2,1-3H3
InChI Key:
CWUVKEONKZTLHE-UHFFFAOYSA-N
SMILES:
CC=CCN1C(=O)SC(C1=O)(C)C
Properties
Complexity:
271
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:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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