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56355-20-5 | 4-(2-Thiazolyloxy)benzoic acid
CAS No: 56355-20-5 Catalog No: AG00EJ7J MDL No:MFCD09753043
Product Description
Catalog Number:
AG00EJ7J
Chemical Name:
4-(2-Thiazolyloxy)benzoic acid
CAS Number:
56355-20-5
Molecular Formula:
C10H7NO3S
Molecular Weight:
221.2325
MDL Number:
MFCD09753043
IUPAC Name:
4-(1,3-thiazol-2-yloxy)benzoic acid
InChI:
InChI=1S/C10H7NO3S/c12-9(13)7-1-3-8(4-2-7)14-10-11-5-6-15-10/h1-6H,(H,12,13)
InChI Key:
KITFLUYWYOYCSF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)Oc1nccs1
Properties
Complexity:
229
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:
1
Isotope Atom Count:
0
Molecular Weight:
221.23g/mol
Monoisotopic Mass:
221.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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