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Home > Aldehydes > 1249382-59-9
1249382-59-9 | 4-(1H-imidazol-1-yl)-2-methylbenzaldehyde
CAS No: 1249382-59-9 Catalog No: AG01BCRE MDL No:MFCD16686632
Product Description
Catalog Number:
AG01BCRE
Chemical Name:
4-(1H-imidazol-1-yl)-2-methylbenzaldehyde
CAS Number:
1249382-59-9
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD16686632
IUPAC Name:
4-imidazol-1-yl-2-methylbenzaldehyde
InChI:
InChI=1S/C11H10N2O/c1-9-6-11(3-2-10(9)7-14)13-5-4-12-8-13/h2-8H,1H3
InChI Key:
SGYGODVXSYCHSU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1C)n1cncc1
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:
1.5
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