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Home Aldehydes 3-(3,4-Dimethoxyphenyl)-1h-pyrazole-4-carbaldehyde

3-(3,4-Dimethoxyphenyl)-1h-pyrazole-4-carbaldehyde

CAS No.:
350997-69-2
Catalog Number:
AG00C8ES
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG00C8ES
Chemical Name:
3-(3,4-Dimethoxyphenyl)-1h-pyrazole-4-carbaldehyde
CAS Number:
350997-69-2
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD01924091
IUPAC Name:
5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H12N2O3/c1-16-10-4-3-8(5-11(10)17-2)12-9(7-15)6-13-14-12/h3-7H,1-2H3,(H,13,14)
InChI Key:
MVOHBLRFSWSWBD-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1n[nH]cc1C=O
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties