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Home Carboxys 3-(2-Methoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid

3-(2-Methoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid

CAS No.:
508182-19-2
Catalog Number:
AG00DCNQ
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG00DCNQ
Chemical Name:
3-(2-Methoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid
CAS Number:
508182-19-2
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD06011105
IUPAC Name:
3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C11H11NO4/c1-15-9-5-3-2-4-7(9)8-6-10(11(13)14)16-12-8/h2-5,10H,6H2,1H3,(H,13,14)
InChI Key:
DZQPCQZVKAAAJK-UHFFFAOYSA-N
SMILES:
COc1ccccc1C1=NOC(C1)C(=O)O
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties