Home Aldehydes 3,5-Dimethyl-4-isoxazolecarbaldehyde

3,5-Dimethyl-4-isoxazolecarbaldehyde

CAS No.:
54593-26-9
Catalog Number:
AG003IOL
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$63
- +
10g
98%
In Stock USA
United States
$113
- +
25g
98%
In Stock USA
United States
$219
- +
100g
98%
In Stock USA
United States
$657
- +
Product Description
Catalog Number:
AG003IOL
Chemical Name:
3,5-Dimethyl-4-isoxazolecarbaldehyde
CAS Number:
54593-26-9
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD02681977
IUPAC Name:
3,5-dimethyl-1,2-oxazole-4-carbaldehyde
InChI:
InChI=1S/C6H7NO2/c1-4-6(3-8)5(2)9-7-4/h3H,1-2H3
InChI Key:
TVAYXKLCEILMEA-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)noc1C
NSC Number:
151753
Properties
Complexity:
116  
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:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties