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Home Aldehydes 5-(4-Methylphenyl)isoxazole-3-carboxaldehyde

5-(4-Methylphenyl)isoxazole-3-carboxaldehyde

CAS No.:
640292-02-0
Catalog Number:
AG003M69
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 97% (HPLC)
1 week
United States
$167
- +
5g
≥ 97% (HPLC)
1 week
United States
$522
- +
10g
≥ 97% (HPLC)
1 week
United States
$931
- +
Product Description
Catalog Number:
AG003M69
Chemical Name:
5-(4-Methylphenyl)isoxazole-3-carboxaldehyde
CAS Number:
640292-02-0
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD06199344
IUPAC Name:
5-(4-methylphenyl)-1,2-oxazole-3-carbaldehyde
InChI:
InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)11-6-10(7-13)12-14-11/h2-7H,1H3
InChI Key:
MYACDOUALUEBHR-UHFFFAOYSA-N
SMILES:
O=Cc1noc(c1)c1ccc(cc1)C
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Synthesis and antimicrobial activity of N'-heteroarylidene-1-adamantylcarbohydrazides and (±)-2-(1-adamantyl)-4-acetyl-5-[5-(4-substituted phenyl-3-isoxazolyl)]-1,3,4-oxadiazolines. Molecules (Basel, Switzerland) 20120316
Discovery of substituted isoxazolecarbaldehydes as potent spermicides, acrosin inhibitors and mild anti-fungal agents. Human reproduction (Oxford, England) 20050801
Properties