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Home > Aldehydes > 857640-17-6
857640-17-6 | 1,5-Dimethyl-3-phenyl-1H-pyrazole-4-carbaldehyde
CAS No: 857640-17-6 Catalog No: AG01EXU9 MDL No:
Product Description
Catalog Number:
AG01EXU9
Chemical Name:
1,5-Dimethyl-3-phenyl-1H-pyrazole-4-carbaldehyde
CAS Number:
857640-17-6
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
IUPAC Name:
1,5-dimethyl-3-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H12N2O/c1-9-11(8-15)12(13-14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChI Key:
OJOQXCIFXFOWAZ-UHFFFAOYSA-N
SMILES:
O=Cc1c(nn(c1C)C)c1ccccc1
Properties
Complexity:
226
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:
1.8
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