Home Aldehydes 5-methoxy-1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde

5-methoxy-1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde

CAS No.:
1258651-69-2
Catalog Number:
AG01A8ZN
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
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Product Description
Catalog Number:
AG01A8ZN
Chemical Name:
5-methoxy-1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde
CAS Number:
1258651-69-2
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD17167118
IUPAC Name:
5-methoxy-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C9H14N2O2/c1-6(2)8-7(5-12)9(13-4)11(3)10-8/h5-6H,1-4H3
InChI Key:
HYDMAORXQDQKDE-UHFFFAOYSA-N
SMILES:
O=Cc1c(nn(c1OC)C)C(C)C
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties