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874623-36-6 | 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CAS No: 874623-36-6 Catalog No: AG019PFP MDL No:MFCD07692306
Product Description
Catalog Number:
AG019PFP
Chemical Name:
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CAS Number:
874623-36-6
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
MDL Number:
MFCD07692306
IUPAC Name:
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
InChI:
InChI=1S/C12H11NO3S/c1-8-13-10(7-17-8)6-16-11-4-2-3-9(5-11)12(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChI Key:
AKSSOQQGEAWRTP-UHFFFAOYSA-N
SMILES:
Cc1scc(n1)COc1cccc(c1)C(=O)O
Properties
Complexity:
275
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
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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