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Home Carboxys 5-Methyl-3-phenylisoxazole-4-carboxylic acid

5-Methyl-3-phenylisoxazole-4-carboxylic acid

CAS No.:
1136-45-4
Catalog Number:
AG00094B
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$44
- +
100g
98%
In Stock USA
United States
$125
- +
Product Description
Catalog Number:
AG00094B
Chemical Name:
5-Methyl-3-phenylisoxazole-4-carboxylic acid
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
Properties