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1136-45-4 | 4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-
CAS No: 1136-45-4 Catalog No: AG00094B MDL No:MFCD00003153
Product Description
Catalog Number:
AG00094B
Chemical Name:
4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-
CAS Number:
1136-45-4
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD00003153
IUPAC Name:
5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChI Key:
PENHKTNQUJMHIR-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)onc1c1ccccc1
EC Number:
214-497-9
UNII:
ZL8HD4RP5B
NSC Number:
76870
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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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