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Home > Aldehydes > 1033806-06-2
1033806-06-2 | 2-(1-METHYL-1H-PYRAZOL-4-YL)BENZALDEHYDE
CAS No: 1033806-06-2 Catalog No: AG01C9ZI MDL No:MFCD12756559
Product Description
Catalog Number:
AG01C9ZI
Chemical Name:
2-(1-METHYL-1H-PYRAZOL-4-YL)BENZALDEHYDE
CAS Number:
1033806-06-2
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD12756559
IUPAC Name:
2-(1-methylpyrazol-4-yl)benzaldehyde
InChI:
InChI=1S/C11H10N2O/c1-13-7-10(6-12-13)11-5-3-2-4-9(11)8-14/h2-8H,1H3
InChI Key:
VOEMTKUKTRXZLN-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1c1cnn(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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