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350988-62-4 | 3-(p-Tolyl);-1H-pyrazole-4-carbaldehyde
CAS No: 350988-62-4 Catalog No: AG003JW4 MDL No:MFCD01133694
Product Description
Catalog Number:
AG003JW4
Chemical Name:
3-(p-Tolyl);-1H-pyrazole-4-carbaldehyde
CAS Number:
350988-62-4
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD01133694
IUPAC Name:
5-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H10N2O/c1-8-2-4-9(5-3-8)11-10(7-14)6-12-13-11/h2-7H,1H3,(H,12,13)
InChI Key:
CKEZOUSRIZFLQE-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1c1ccc(cc1)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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