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721916-23-0 | 4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid
CAS No: 721916-23-0 Catalog No: AG019VL3 MDL No:MFCD03956429
Product Description
Catalog Number:
AG019VL3
Chemical Name:
4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid
CAS Number:
721916-23-0
Molecular Formula:
C11H9NO4S
Molecular Weight:
251.2585
MDL Number:
MFCD03956429
IUPAC Name:
4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid
InChI:
InChI=1S/C11H9NO4S/c13-9-6-17-11(16)12(9)5-7-1-3-8(4-2-7)10(14)15/h1-4H,5-6H2,(H,14,15)
InChI Key:
MCOAUWGCLSIVNL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)CN1C(=O)CSC1=O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.025g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.256g/mol
Monoisotopic Mass:
251.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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