Home Aldehydes 3-ethyl-5-isoxazolecarbaldehyde

3-ethyl-5-isoxazolecarbaldehyde

CAS No.:
72591-56-1
Catalog Number:
AG00FD2U
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$448
- +
5g
95%
In Stock USA
United States
$1462
- +
Product Description
Catalog Number:
AG00FD2U
Chemical Name:
3-ethyl-5-isoxazolecarbaldehyde
CAS Number:
72591-56-1
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD13188566
IUPAC Name:
3-ethyl-1,2-oxazole-5-carbaldehyde
InChI:
InChI=1S/C6H7NO2/c1-2-5-3-6(4-8)9-7-5/h3-4H,2H2,1H3
InChI Key:
AEPZJXAUBJAZMK-UHFFFAOYSA-N
SMILES:
CCc1noc(c1)C=O
Properties
Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties