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179055-93-7 | Benzaldehyde, 3-(1-methyl-1H-pyrazol-4-yl)-
CAS No: 179055-93-7 Catalog No: AG0026R1 MDL No:MFCD08669917
Product Description
Catalog Number:
AG0026R1
Chemical Name:
Benzaldehyde, 3-(1-methyl-1H-pyrazol-4-yl)-
CAS Number:
179055-93-7
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD08669917
IUPAC Name:
3-(1-methylpyrazol-4-yl)benzaldehyde
InChI:
InChI=1S/C11H10N2O/c1-13-7-11(6-12-13)10-4-2-3-9(5-10)8-14/h2-8H,1H3
InChI Key:
JMMVYZMDDGBVAW-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1cnn(c1)C
Properties
Complexity:
208
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:
1.3
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