Home Aldehydes 5-ethoxy-3-methyl-1-(2-methylpropyl)-1H-pyrazole-4-carbaldehyde

5-ethoxy-3-methyl-1-(2-methylpropyl)-1H-pyrazole-4-carbaldehyde

CAS No.:
956769-26-9
Catalog Number:
AG019PQF
Molecular Formula:
C11H18N2O2
Molecular Weight:
210.2728
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Product Description
Catalog Number:
AG019PQF
Chemical Name:
5-ethoxy-3-methyl-1-(2-methylpropyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
956769-26-9
Molecular Formula:
C11H18N2O2
Molecular Weight:
210.2728
MDL Number:
MFCD08444328
IUPAC Name:
5-ethoxy-3-methyl-1-(2-methylpropyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H18N2O2/c1-5-15-11-10(7-14)9(4)12-13(11)6-8(2)3/h7-8H,5-6H2,1-4H3
InChI Key:
NVZFJIYEHGFPCV-UHFFFAOYSA-N
SMILES:
CCOc1n(CC(C)C)nc(c1C=O)C
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.137g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.277g/mol
Monoisotopic Mass:
210.137g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties