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Home > Aldehydes > 1015845-89-2
1015845-89-2 | Benzaldehyde, 2-methyl-4-(1H-pyrazol-1-yl)-
CAS No: 1015845-89-2 Catalog No: AG0004V1 MDL No:MFCD08059904
Product Description
Catalog Number:
AG0004V1
Chemical Name:
Benzaldehyde, 2-methyl-4-(1H-pyrazol-1-yl)-
CAS Number:
1015845-89-2
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD08059904
IUPAC Name:
2-methyl-4-pyrazol-1-ylbenzaldehyde
InChI:
InChI=1S/C11H10N2O/c1-9-7-11(4-3-10(9)8-14)13-6-2-5-12-13/h2-8H,1H3
InChI Key:
KDHRBBGULNYWMM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1C)n1cccn1
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:
1.7
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