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Home > Aldehydes > 1052542-54-7
1052542-54-7 | 3-(2-ETHYL-IMIDAZOL-1-YLMETHYL)-4-METHOXY-BENZALDEHYDE HYDROCHLORIDE
CAS No: 1052542-54-7 Catalog No: AG009O0O MDL No:MFCD06801635
Product Description
Catalog Number:
AG009O0O
Chemical Name:
3-(2-ETHYL-IMIDAZOL-1-YLMETHYL)-4-METHOXY-BENZALDEHYDE HYDROCHLORIDE
CAS Number:
1052542-54-7
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
MDL Number:
MFCD06801635
IUPAC Name:
3-[(2-ethylimidazol-1-yl)methyl]-4-methoxybenzaldehyde
InChI:
InChI=1S/C14H16N2O2/c1-3-14-15-6-7-16(14)9-12-8-11(10-17)4-5-13(12)18-2/h4-8,10H,3,9H2,1-2H3
InChI Key:
AODKAVPABUIILS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Cn1ccnc1CC)C=O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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