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53658-17-6 | (2-HYDROXYPHENYL)(ISOXAZOL-4-YL)METHANONE
CAS No: 53658-17-6 Catalog No: AG00DIG7 MDL No:MFCD06382828
Product Description
Catalog Number:
AG00DIG7
Chemical Name:
(2-HYDROXYPHENYL)(ISOXAZOL-4-YL)METHANONE
CAS Number:
53658-17-6
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD06382828
IUPAC Name:
(2-hydroxyphenyl)-(1,2-oxazol-4-yl)methanone
InChI:
InChI=1S/C10H7NO3/c12-9-4-2-1-3-8(9)10(13)7-5-11-14-6-7/h1-6,12H
InChI Key:
MIBFNKDFHJNSAK-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C(=O)c1conc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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