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

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

CAS No.:
109925-10-2
Catalog Number:
AG007EF5
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG007EF5
Chemical Name:
1,3-Dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde
CAS Number:
109925-10-2
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD07698583
IUPAC Name:
1,3-dimethyl-5-phenoxypyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H12N2O2/c1-9-11(8-15)12(14(2)13-9)16-10-6-4-3-5-7-10/h3-8H,1-2H3
InChI Key:
WCLPDOWYSKMISR-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1Oc1ccccc1)C
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties