Home Aldehydes 1-(2-phenylethyl)-1H-pyrazole-5-carbaldehyde

1-(2-phenylethyl)-1H-pyrazole-5-carbaldehyde

CAS No.:
956723-13-0
Catalog Number:
AG019TZ4
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
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Product Description
Catalog Number:
AG019TZ4
Chemical Name:
1-(2-phenylethyl)-1H-pyrazole-5-carbaldehyde
CAS Number:
956723-13-0
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD17676808
IUPAC Name:
2-(2-phenylethyl)pyrazole-3-carbaldehyde
InChI:
InChI=1S/C12H12N2O/c15-10-12-6-8-13-14(12)9-7-11-4-2-1-3-5-11/h1-6,8,10H,7,9H2
InChI Key:
GNKMLUZRQKOBEF-UHFFFAOYSA-N
SMILES:
O=Cc1ccnn1CCc1ccccc1
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties