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27501-91-3 | 4-Thiazolecarboxylic acid, 2-(2-hydroxyphenyl)-
CAS No: 27501-91-3 Catalog No: AG002TY1 MDL No:
Product Description
Catalog Number:
AG002TY1
Chemical Name:
4-Thiazolecarboxylic acid, 2-(2-hydroxyphenyl)-
CAS Number:
27501-91-3
Molecular Formula:
C10H7NO3S
Molecular Weight:
221.2325
IUPAC Name:
2-(2-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C10H7NO3S/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-5,12H,(H,13,14)
InChI Key:
UCVBEULMPJTLLH-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1scc(n1)C(=O)O
Properties
Complexity:
249
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
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