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148292-08-4 | 4-Thiazolecarboxylic acid, 4,5-dihydro-2-(3-hydroxy-2-pyridinyl)-, (4S)-
CAS No: 148292-08-4 Catalog No: AG001FKR MDL No:
Product Description
Catalog Number:
AG001FKR
Chemical Name:
4-Thiazolecarboxylic acid, 4,5-dihydro-2-(3-hydroxy-2-pyridinyl)-, (4S)-
CAS Number:
148292-08-4
Molecular Formula:
C9H8N2O3S
Molecular Weight:
224.2364
IUPAC Name:
(4S)-2-(3-hydroxypyridin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C9H8N2O3S/c12-6-2-1-3-10-7(6)8-11-5(4-15-8)9(13)14/h1-3,5,12H,4H2,(H,13,14)/t5-/m1/s1
InChI Key:
TZIBMXCYUYRNRT-RXMQYKEDSA-N
SMILES:
OC(=O)[C@H]1CSC(=N1)c1ncccc1O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
224.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.234g/mol
Monoisotopic Mass:
224.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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