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Home > Aldehydes > 113306-16-4
113306-16-4 | 1H-Pyrazole-4-carboxaldehyde, 1-phenyl-5-(1H-pyrrol-1-yl)-
CAS No: 113306-16-4 Catalog No: AG007SMI MDL No:
Product Description
Catalog Number:
AG007SMI
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 1-phenyl-5-(1H-pyrrol-1-yl)-
CAS Number:
113306-16-4
Molecular Formula:
C14H11N3O
Molecular Weight:
237.2566
IUPAC Name:
1-phenyl-5-pyrrol-1-ylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C14H11N3O/c18-11-12-10-15-17(13-6-2-1-3-7-13)14(12)16-8-4-5-9-16/h1-11H
InChI Key:
UMJOPSXPSMYPBW-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1n1cccc1)c1ccccc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.262g/mol
Monoisotopic Mass:
237.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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