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179055-27-7 | Benzaldehyde, 4-(1-methyl-1H-pyrazol-3-yl)-
CAS No: 179055-27-7 Catalog No: AG0026PU MDL No:MFCD08669906
Product Description
Catalog Number:
AG0026PU
Chemical Name:
Benzaldehyde, 4-(1-methyl-1H-pyrazol-3-yl)-
CAS Number:
179055-27-7
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD08669906
IUPAC Name:
4-(1-methylpyrazol-3-yl)benzaldehyde
InChI:
InChI=1S/C11H10N2O/c1-13-7-6-11(12-13)10-4-2-9(8-14)3-5-10/h2-8H,1H3
InChI Key:
QWKUTEQPAJGRLZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1ccn(n1)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:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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