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385376-27-2 | 1-(3,4-Dimethyl-phenyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CAS No: 385376-27-2 Catalog No: AG01EVRU MDL No:
Product Description
Catalog Number:
AG01EVRU
Chemical Name:
1-(3,4-Dimethyl-phenyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CAS Number:
385376-27-2
Molecular Formula:
C14H16N2O
Molecular Weight:
228.2896
IUPAC Name:
1-(3,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C14H16N2O/c1-9-5-6-13(7-10(9)2)16-12(4)14(8-17)11(3)15-16/h5-8H,1-4H3
InChI Key:
JXHCHQJFYUQBSQ-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1C)c1ccc(c(c1)C)C
Properties
Complexity:
281
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:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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