Home Aldehydes 1,3-dimethyl-5-(pyridin-3-yloxy)-1H-pyrazole-4-carbaldehyde

1,3-dimethyl-5-(pyridin-3-yloxy)-1H-pyrazole-4-carbaldehyde

CAS No.:
122816-70-0
Catalog Number:
AG019YMN
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
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Product Description
Catalog Number:
AG019YMN
Chemical Name:
1,3-dimethyl-5-(pyridin-3-yloxy)-1H-pyrazole-4-carbaldehyde
CAS Number:
122816-70-0
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD11103683
IUPAC Name:
1,3-dimethyl-5-pyridin-3-yloxypyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H11N3O2/c1-8-10(7-15)11(14(2)13-8)16-9-4-3-5-12-6-9/h3-7H,1-2H3
InChI Key:
YNZXJLYNLGQWDV-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1Oc1cccnc1)C
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties