Home Aldehydes isoxazole-4-carboxaldehyde

isoxazole-4-carboxaldehyde

CAS No.:
65373-53-7
Catalog Number:
AG00E9ZF
Molecular Formula:
C4H3NO2
Molecular Weight:
97.0721
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 97% (NMR)
1 week
United States
$133
- +
250mg
≥ 97% (NMR)
1 week
United States
$206
- +
1g
≥ 97% (NMR)
1 week
United States
$564
- +
5g
≥ 97% (NMR)
1 week
United States
$1997
- +
Product Description
Catalog Number:
AG00E9ZF
Chemical Name:
isoxazole-4-carboxaldehyde
CAS Number:
65373-53-7
Molecular Formula:
C4H3NO2
Molecular Weight:
97.0721
MDL Number:
MFCD02179515
IUPAC Name:
1,2-oxazole-4-carbaldehyde
InChI:
InChI=1S/C4H3NO2/c6-2-4-1-5-7-3-4/h1-3H
InChI Key:
BLOZNQVFQCOHRW-UHFFFAOYSA-N
SMILES:
O=Cc1conc1
Properties
Complexity:
74.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.016g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
97.073g/mol
Monoisotopic Mass:
97.016g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
Title Journal
Enhancing the reaction rates of Morita-Baylis-Hillman reaction in heterocyclic aldehydes by substitutions. Chemphyschem : a European journal of chemical physics and physical chemistry 20121112
Properties