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36190-14-4 | "5-hydroxy-4-phenyl-2,3-dihydro-1,2-oxazol-3-one"
CAS No: 36190-14-4 Catalog No: AG01FM7L MDL No:MFCD29038187
Product Description
Catalog Number:
AG01FM7L
Chemical Name:
"5-hydroxy-4-phenyl-2,3-dihydro-1,2-oxazol-3-one"
CAS Number:
36190-14-4
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD29038187
IUPAC Name:
5-hydroxy-4-phenyl-1,2-oxazol-3-one
InChI:
InChI=1S/C9H7NO3/c11-8-7(9(12)13-10-8)6-4-2-1-3-5-6/h1-5,12H,(H,10,11)
InChI Key:
ZMSGYVXNYROULF-UHFFFAOYSA-N
SMILES:
Oc1o[nH]c(=O)c1c1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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