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1558171-05-3 | 4-methyl-2-(1-methyl-1H-pyrazol-4-yl)benzaldehyde
CAS No: 1558171-05-3 Catalog No: AG01B98X MDL No:MFCD24238613
Product Description
Catalog Number:
AG01B98X
Chemical Name:
4-methyl-2-(1-methyl-1H-pyrazol-4-yl)benzaldehyde
CAS Number:
1558171-05-3
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD24238613
IUPAC Name:
4-methyl-2-(1-methylpyrazol-4-yl)benzaldehyde
InChI:
InChI=1S/C12H12N2O/c1-9-3-4-10(8-15)12(5-9)11-6-13-14(2)7-11/h3-8H,1-2H3
InChI Key:
GSUWTOKVCKVGQX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1c1cnn(c1)C)C
Properties
Complexity:
232
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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