Home Aldehydes 1-(cyclobutylmethyl)-1H-pyrazole-5-carbaldehyde

1-(cyclobutylmethyl)-1H-pyrazole-5-carbaldehyde

CAS No.:
1236366-27-0
Catalog Number:
AG01C0JV
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
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Product Description
Catalog Number:
AG01C0JV
Chemical Name:
1-(cyclobutylmethyl)-1H-pyrazole-5-carbaldehyde
CAS Number:
1236366-27-0
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD28517361
IUPAC Name:
2-(cyclobutylmethyl)pyrazole-3-carbaldehyde
InChI:
InChI=1S/C9H12N2O/c12-7-9-4-5-10-11(9)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2
InChI Key:
BKFPTUPSKBJQLT-UHFFFAOYSA-N
SMILES:
O=Cc1ccnn1CC1CCC1
Properties
Complexity:
168  
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:
3  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties