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69588-11-0 | 4-Thiazolidinecarboxylicacid, 2-(4-hydroxyphenyl)-
CAS No: 69588-11-0 Catalog No: AG005K3Z MDL No:MFCD00447478
Product Description
Catalog Number:
AG005K3Z
Chemical Name:
4-Thiazolidinecarboxylicacid, 2-(4-hydroxyphenyl)-
CAS Number:
69588-11-0
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
MDL Number:
MFCD00447478
IUPAC Name:
2-(4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C10H11NO3S/c12-7-3-1-6(2-4-7)9-11-8(5-15-9)10(13)14/h1-4,8-9,11-12H,5H2,(H,13,14)
InChI Key:
TWPYJYQNZHPNGQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSC(N1)c1ccc(cc1)O
NSC Number:
303515
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Design of mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and new structural templates. | Journal of medicinal chemistry 20071115 |
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