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Home > Thiazole > 1099142-27-4
1099142-27-4 | 4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetamido]benzoic acid
CAS No: 1099142-27-4 Catalog No: AG01AJCY MDL No:MFCD12656531
Product Description
Catalog Number:
AG01AJCY
Chemical Name:
4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetamido]benzoic acid
CAS Number:
1099142-27-4
Molecular Formula:
C12H12N2O4S
Molecular Weight:
280.2997
MDL Number:
MFCD12656531
IUPAC Name:
4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
InChI:
InChI=1S/C12H12N2O4S/c15-10(5-14-7-19-6-11(14)16)13-9-3-1-8(2-4-9)12(17)18/h1-4H,5-7H2,(H,13,15)(H,17,18)
InChI Key:
UIOHOWUJYOLIFF-UHFFFAOYSA-N
SMILES:
O=C(CN1CSCC1=O)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.298g/mol
Monoisotopic Mass:
280.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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