Home Aldehydes 3,5-dimethyl-1H-pyrazole-4-carbaldehyde

3,5-dimethyl-1H-pyrazole-4-carbaldehyde

CAS No.:
201008-71-1
Catalog Number:
AG002D5T
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG002D5T
Chemical Name:
3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CAS Number:
201008-71-1
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD03194451
IUPAC Name:
3,5-dimethyl-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C6H8N2O/c1-4-6(3-9)5(2)8-7-4/h3H,1-2H3,(H,7,8)
InChI Key:
FQBOXJRHEZGATR-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)n[nH]c1C
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties