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Home > Indoles and Oxindole > 864685-12-1
864685-12-1 | Spiro[1,3-dioxane-2,3'-[3H]indol]-2'(1'H)-one,6'-ethyl-
CAS No: 864685-12-1 Catalog No: AG004WI7 MDL No:
Product Description
Catalog Number:
AG004WI7
Chemical Name:
Spiro[1,3-dioxane-2,3'-[3H]indol]-2'(1'H)-one,6'-ethyl-
CAS Number:
864685-12-1
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
6'-ethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
InChI:
InChI=1S/C13H15NO3/c1-2-9-4-5-10-11(8-9)14-12(15)13(10)16-6-3-7-17-13/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)
InChI Key:
JFHBHPGGRWYNSP-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)NC(=O)C12OCCCO1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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