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Home Carboxys 3-Isoxazolecarboxylic acid, 4,5-dihydro-5,5-diphenyl-, ethyl ester

3-Isoxazolecarboxylic acid, 4,5-dihydro-5,5-diphenyl-, ethyl ester

CAS No.:
163520-33-0
Catalog Number:
AG001U76
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
>98%(GC)
In Stock USA
United States
$73
- +
25mg
>98%(GC)
In Stock USA
United States
$143
- +
100mg
>98%(GC)
In Stock USA
United States
$265
- +
Product Description
Catalog Number:
AG001U76
Chemical Name:
3-Isoxazolecarboxylic acid, 4,5-dihydro-5,5-diphenyl-, ethyl ester
CAS Number:
163520-33-0
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
MDL Number:
MFCD03792846
IUPAC Name:
ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChI Key:
MWKVXOJATACCCH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=NOC(C1)(c1ccccc1)c1ccccc1
UNII:
71LF32W32E
Properties
Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Residues of the herbicide fenoxaprop-P-ethyl, its agronomic safener isoxadifen-ethyl and their metabolites in rice after field application. Pest management science 20100601
Acute intentional self-poisoning with a herbicide product containing fenoxaprop-P-ethyl, ethoxysulfuron, and isoxadifen ethyl: a prospective observational study. Clinical toxicology (Philadelphia, Pa.) 20090901
Properties