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138099-41-9 | 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid
CAS No: 138099-41-9 Catalog No: AG019K90 MDL No:MFCD09413270
Product Description
Catalog Number:
AG019K90
Chemical Name:
3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid
CAS Number:
138099-41-9
Molecular Formula:
C10H11NO4S
Molecular Weight:
241.2636
MDL Number:
MFCD09413270
IUPAC Name:
3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid
InChI:
InChI=1S/C10H11NO4S/c12-10(13)8-3-1-4-9(7-8)11-5-2-6-16(11,14)15/h1,3-4,7H,2,5-6H2,(H,12,13)
InChI Key:
ULALUMQLLYCRCB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)N1CCCS1(=O)=O
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.261g/mol
Monoisotopic Mass:
241.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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