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Home > Aldehydes > 124344-97-4
124344-97-4 | 1H-Pyrazole-3-carboxaldehyde, 1,4-dimethyl-5-(4-methylphenyl)-
CAS No: 124344-97-4 Catalog No: AG000LWU MDL No:
Product Description
Catalog Number:
AG000LWU
Chemical Name:
1H-Pyrazole-3-carboxaldehyde, 1,4-dimethyl-5-(4-methylphenyl)-
CAS Number:
124344-97-4
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
IUPAC Name:
1,4-dimethyl-5-(4-methylphenyl)pyrazole-3-carbaldehyde
InChI:
InChI=1S/C13H14N2O/c1-9-4-6-11(7-5-9)13-10(2)12(8-16)14-15(13)3/h4-8H,1-3H3
InChI Key:
AESURDLSCQKJIX-UHFFFAOYSA-N
SMILES:
O=Cc1nn(c(c1C)c1ccc(cc1)C)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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