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Home > Aldehydes > 158585-82-1
158585-82-1 | 1H-Imidazole-5-carboxaldehyde, 1-methyl-4-phenyl-
CAS No: 158585-82-1 Catalog No: AG001QBO MDL No:
Product Description
Catalog Number:
AG001QBO
Chemical Name:
1H-Imidazole-5-carboxaldehyde, 1-methyl-4-phenyl-
CAS Number:
158585-82-1
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
3-methyl-5-phenylimidazole-4-carbaldehyde
InChI:
InChI=1S/C11H10N2O/c1-13-8-12-11(10(13)7-14)9-5-3-2-4-6-9/h2-8H,1H3
InChI Key:
HLTBNGFCRFBYPW-UHFFFAOYSA-N
SMILES:
O=Cc1n(C)cnc1c1ccccc1
Properties
Complexity:
202
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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