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31061-24-2

31061-24-2 | 3-Thiazolidineacetic acid, 2,4-dioxo-

CAS No: 31061-24-2 Catalog No: AG00321D MDL No:MFCD01579950

Product Description

Catalog Number:
AG00321D
Chemical Name:
3-Thiazolidineacetic acid, 2,4-dioxo-
CAS Number:
31061-24-2
Molecular Formula:
C5H5NO4S
Molecular Weight:
175.1625
MDL Number:
MFCD01579950
IUPAC Name:
2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid
InChI:
InChI=1S/C5H5NO4S/c7-3-2-11-5(10)6(3)1-4(8)9/h1-2H2,(H,8,9)
InChI Key:
WHBNKGILKCASDH-UHFFFAOYSA-N
SMILES:
OC(=O)CN1C(=O)CSC1=O

Properties

Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.994g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.158g/mol
Monoisotopic Mass:
174.994g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

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