Home Aldehydes 1-cyclobutyl-3-methyl-1H-pyrazole-4-carbaldehyde

1-cyclobutyl-3-methyl-1H-pyrazole-4-carbaldehyde

CAS No.:
1558215-65-8
Catalog Number:
AG01EM9H
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
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Product Description
Catalog Number:
AG01EM9H
Chemical Name:
1-cyclobutyl-3-methyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1558215-65-8
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD28625524
IUPAC Name:
1-cyclobutyl-3-methylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C9H12N2O/c1-7-8(6-12)5-11(10-7)9-3-2-4-9/h5-6,9H,2-4H2,1H3
InChI Key:
ULAYFRKGIDBGDQ-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1C)C1CCC1
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties