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Home > Aldehydes > 1015845-98-3
1015845-98-3 | 1H-Pyrazole-4-carboxaldehyde, 1-(4-butylphenyl)-
CAS No: 1015845-98-3 Catalog No: AG0004W9 MDL No:MFCD08691650
Product Description
Catalog Number:
AG0004W9
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 1-(4-butylphenyl)-
CAS Number:
1015845-98-3
Molecular Formula:
C14H16N2O
Molecular Weight:
228.2896
MDL Number:
MFCD08691650
IUPAC Name:
1-(4-butylphenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C14H16N2O/c1-2-3-4-12-5-7-14(8-6-12)16-10-13(11-17)9-15-16/h5-11H,2-4H2,1H3
InChI Key:
YWQVXGIBKUUUGG-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)n1ncc(c1)C=O
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.295g/mol
Monoisotopic Mass:
228.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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