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Home > Aldehydes > 864408-58-2
864408-58-2 | 1H-Pyrazole-4-carboxaldehyde, 3-ethyl-1-phenyl-
CAS No: 864408-58-2 Catalog No: AG008GCE MDL No:
Product Description
Catalog Number:
AG008GCE
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 3-ethyl-1-phenyl-
CAS Number:
864408-58-2
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
IUPAC Name:
3-ethyl-1-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H12N2O/c1-2-12-10(9-15)8-14(13-12)11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChI Key:
WAGPCJNMXFYFBB-UHFFFAOYSA-N
SMILES:
CCc1nn(cc1C=O)c1ccccc1
Properties
Complexity:
214
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:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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