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Home > Indoles and Oxindole > 67996-11-6
67996-11-6 | 1,3-Dioxane-4,6-dione, 5-(1H-indol-3-ylphenylmethyl)-2,2-dimethyl-
CAS No: 67996-11-6 Catalog No: AG00616V MDL No:
Product Description
Catalog Number:
AG00616V
Chemical Name:
1,3-Dioxane-4,6-dione, 5-(1H-indol-3-ylphenylmethyl)-2,2-dimethyl-
CAS Number:
67996-11-6
Molecular Formula:
C21H19NO4
Molecular Weight:
349.3799
IUPAC Name:
5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C21H19NO4/c1-21(2)25-19(23)18(20(24)26-21)17(13-8-4-3-5-9-13)15-12-22-16-11-7-6-10-14(15)16/h3-12,17-18,22H,1-2H3
InChI Key:
IAZCYVMIFQDULN-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(C)OC(=O)C1C(c1c[nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.131g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.386g/mol
Monoisotopic Mass:
349.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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