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88599-29-5 | 2,4-Thiazolidinedione, 5-(5,6,7,8-tetrahydro-2-naphthalenyl)-
CAS No: 88599-29-5 Catalog No: AG004AQY MDL No:
Product Description
Catalog Number:
AG004AQY
Chemical Name:
2,4-Thiazolidinedione, 5-(5,6,7,8-tetrahydro-2-naphthalenyl)-
CAS Number:
88599-29-5
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
IUPAC Name:
5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C13H13NO2S/c15-12-11(17-13(16)14-12)10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2,(H,14,15,16)
InChI Key:
RGOHRBUMJMQDEO-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(S1)c1ccc2c(c1)CCCC2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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