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Home Aldehydes 5-Methyl-3-phenyl-4-isoxazolecarbaldehyde

5-Methyl-3-phenyl-4-isoxazolecarbaldehyde

CAS No.:
87967-95-1
Catalog Number:
AG003MVN
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$152
- +
5g
95%
In Stock USA
United States
$675
- +
Product Description
Catalog Number:
AG003MVN
Chemical Name:
5-Methyl-3-phenyl-4-isoxazolecarbaldehyde
CAS Number:
87967-95-1
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD02677714
IUPAC Name:
5-methyl-3-phenyl-1,2-oxazole-4-carbaldehyde
InChI:
InChI=1S/C11H9NO2/c1-8-10(7-13)11(12-14-8)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
SMSBKEHQYUYAHK-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)onc1c1ccccc1
Properties
Complexity:
202  
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:
1.9  
Literature
Title Journal
Discovery of substituted isoxazolecarbaldehydes as potent spermicides, acrosin inhibitors and mild anti-fungal agents. Human reproduction (Oxford, England) 20050801
Properties