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Home > Aldehydes > 1333127-94-8
1333127-94-8 | 4-(1-METHYL-1H-IMIDAZOL-5-YL)BENZALDEHYDE
CAS No: 1333127-94-8 Catalog No: AG01BW9B MDL No:MFCD22410541
Product Description
Catalog Number:
AG01BW9B
Chemical Name:
4-(1-METHYL-1H-IMIDAZOL-5-YL)BENZALDEHYDE
CAS Number:
1333127-94-8
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD22410541
IUPAC Name:
4-(3-methylimidazol-4-yl)benzaldehyde
InChI:
InChI=1S/C11H10N2O/c1-13-8-12-6-11(13)10-4-2-9(7-14)3-5-10/h2-8H,1H3
InChI Key:
XNIPWUOEEZHYLU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1cncn1C
Properties
Complexity:
200
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:
1.1
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