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23551-34-0 | 4-Thiazoleacetic acid, 2-(4-hydroxyphenyl)-
CAS No: 23551-34-0 Catalog No: AG002NNI MDL No:MFCD06739820
Product Description
Catalog Number:
AG002NNI
Chemical Name:
4-Thiazoleacetic acid, 2-(4-hydroxyphenyl)-
CAS Number:
23551-34-0
Molecular Formula:
C11H9NO3S
Molecular Weight:
235.2591
MDL Number:
MFCD06739820
IUPAC Name:
2-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C11H9NO3S/c13-9-3-1-7(2-4-9)11-12-8(6-16-11)5-10(14)15/h1-4,6,13H,5H2,(H,14,15)
InChI Key:
RBZPOPOXHFIWRM-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(n1)c1ccc(cc1)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.257g/mol
Monoisotopic Mass:
235.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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