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Home Aldehydes 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde

3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde

CAS No.:
22042-79-1
Catalog Number:
AG007PZM
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$32
- +
5g
98%
In Stock USA
United States
$125
- +
10g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$450
- +
100g
98%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG007PZM
Chemical Name:
3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde
CAS Number:
22042-79-1
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD00051396
IUPAC Name:
3,5-dimethyl-1-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H12N2O/c1-9-12(8-15)10(2)14(13-9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChI Key:
VOMRTQQGXWPTJK-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1C)c1ccccc1
EC Number:
244-750-9
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde. Acta crystallographica. Section E, Structure reports online 20120401
2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl-idene]indan-1,3-dione. Acta crystallographica. Section E, Structure reports online 20111201
Properties