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1546562-99-5 | 3-methyl-1-(3-methylphenyl)-1H-pyrazole-4-carbaldehyde
CAS No: 1546562-99-5 Catalog No: AG01C32U MDL No:MFCD29762777
Product Description
Catalog Number:
AG01C32U
Chemical Name:
3-methyl-1-(3-methylphenyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
1546562-99-5
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD29762777
IUPAC Name:
3-methyl-1-(3-methylphenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H12N2O/c1-9-4-3-5-12(6-9)14-7-11(8-15)10(2)13-14/h3-8H,1-2H3
InChI Key:
WKAYVIICLCURSY-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1C)c1cccc(c1)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:
2.1
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