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88419-03-8 | 2,4-Thiazolidinedione, 3-(2-oxopropyl)-
CAS No: 88419-03-8 Catalog No: AG004KMQ MDL No:
Product Description
Catalog Number:
AG004KMQ
Chemical Name:
2,4-Thiazolidinedione, 3-(2-oxopropyl)-
CAS Number:
88419-03-8
Molecular Formula:
C6H7NO3S
Molecular Weight:
173.1897
IUPAC Name:
3-(2-oxopropyl)-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C6H7NO3S/c1-4(8)2-7-5(9)3-11-6(7)10/h2-3H2,1H3
InChI Key:
QYNSXRFEVMYZEW-UHFFFAOYSA-N
SMILES:
CC(=O)CN1C(=O)CSC1=O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.186g/mol
Monoisotopic Mass:
173.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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