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72651-98-0 | 1,3-Dioxane-4,6-dione,5-(1H-indol-3-ylmethyl)-2,2-dimethyl-
CAS No: 72651-98-0 Catalog No: AG0062UB MDL No:MFCD00012078
Product Description
Catalog Number:
AG0062UB
Chemical Name:
1,3-Dioxane-4,6-dione,5-(1H-indol-3-ylmethyl)-2,2-dimethyl-
CAS Number:
72651-98-0
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
MDL Number:
MFCD00012078
IUPAC Name:
5-(1H-indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C15H15NO4/c1-15(2)19-13(17)11(14(18)20-15)7-9-8-16-12-6-4-3-5-10(9)12/h3-6,8,11,16H,7H2,1-2H3
InChI Key:
BDAVXCPEOTZZLK-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(C)OC(=O)C1Cc1c[nH]c2c1cccc2
NSC Number:
314867
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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