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Home > Indoles and Oxindole > 14073-22-4
14073-22-4 | 2-Butanone, 4-(5-methoxy-1H-indol-3-yl)-
CAS No: 14073-22-4 Catalog No: AG001CRB MDL No:
Product Description
Catalog Number:
AG001CRB
Chemical Name:
2-Butanone, 4-(5-methoxy-1H-indol-3-yl)-
CAS Number:
14073-22-4
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
2-(5-ethyl-5-methyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole
InChI:
InChI=1S/C22H24N2O2/c1-3-22(2)14-25-21(26-15-22)20-23-18(16-10-6-4-7-11-16)19(24-20)17-12-8-5-9-13-17/h4-13,21H,3,14-15H2,1-2H3,(H,23,24)
InChI Key:
WYYWMSIPTOQHNQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(CCC(=O)C)c[nH]2
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.184g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.446g/mol
Monoisotopic Mass:
348.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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