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Home > Aldehydes > 304477-41-6
304477-41-6 | 1H-Pyrazole-4-carboxaldehyde, 1-methyl-3-(4-methylphenyl)-
CAS No: 304477-41-6 Catalog No: AG003054 MDL No:
Product Description
Catalog Number:
AG003054
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 1-methyl-3-(4-methylphenyl)-
CAS Number:
304477-41-6
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
IUPAC Name:
1-methyl-3-(4-methylphenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H12N2O/c1-9-3-5-10(6-4-9)12-11(8-15)7-14(2)13-12/h3-8H,1-2H3
InChI Key:
IBUHXEBPFFEKQS-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1ccc(cc1)C)C
Properties
Complexity:
224
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:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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