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91004-32-9 | 3-phenyl-1,3-thiazolidin-2-one 1,1-dioxide
CAS No: 91004-32-9 Catalog No: AG006RVM MDL No:
Product Description
Catalog Number:
AG006RVM
Chemical Name:
3-phenyl-1,3-thiazolidin-2-one 1,1-dioxide
CAS Number:
91004-32-9
Molecular Formula:
C9H9NO3S
Molecular Weight:
211.2377
IUPAC Name:
1,1-dioxo-3-phenyl-1,3-thiazolidin-2-one
InChI:
InChI=1S/C9H9NO3S/c11-9-10(6-7-14(9,12)13)8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
VHZITUJOJCRBIY-UHFFFAOYSA-N
SMILES:
O=C1N(CCS1(=O)=O)c1ccccc1
NSC Number:
122642
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.235g/mol
Monoisotopic Mass:
211.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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