Home Carboxys 4-Thiazolecarboxylic acid, 2-(4-hydroxyphenyl)-

4-Thiazolecarboxylic acid, 2-(4-hydroxyphenyl)-

CAS No.:
36705-82-5
Catalog Number:
AG00CNBA
Molecular Formula:
C10H7NO3S
Molecular Weight:
221.2325
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Product Description
Catalog Number:
AG00CNBA
Chemical Name:
4-Thiazolecarboxylic acid, 2-(4-hydroxyphenyl)-
CAS Number:
36705-82-5
Molecular Formula:
C10H7NO3S
Molecular Weight:
221.2325
MDL Number:
MFCD11179450
IUPAC Name:
2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C10H7NO3S/c12-7-3-1-6(2-4-7)9-11-8(5-15-9)10(13)14/h1-5,12H,(H,13,14)
InChI Key:
YSKMZPAUCUGNFT-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1scc(n1)C(=O)O
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.015g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.23g/mol
Monoisotopic Mass:
221.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties