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951920-03-9 | 4-[(4-Methyl-1,3-thiazol-2-yl)methoxy]benzoic acid
CAS No: 951920-03-9 Catalog No: AG01ARES MDL No:MFCD09904925
Product Description
Catalog Number:
AG01ARES
Chemical Name:
4-[(4-Methyl-1,3-thiazol-2-yl)methoxy]benzoic acid
CAS Number:
951920-03-9
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
MDL Number:
MFCD09904925
IUPAC Name:
4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid
InChI:
InChI=1S/C12H11NO3S/c1-8-7-17-11(13-8)6-16-10-4-2-9(3-5-10)12(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChI Key:
GMAXVPUNJLXEQY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)OCc1scc(n1)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.284g/mol
Monoisotopic Mass:
249.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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