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Home > Indoles and Oxindole > 67124-17-8
67124-17-8 | 5H-1,3-Dioxolo[4,5-f]indole-6,7-dione, 5-ethyl-
CAS No: 67124-17-8 Catalog No: AG00642Y MDL No:
Product Description
Catalog Number:
AG00642Y
Chemical Name:
5H-1,3-Dioxolo[4,5-f]indole-6,7-dione, 5-ethyl-
CAS Number:
67124-17-8
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
IUPAC Name:
5-ethyl-[1,3]dioxolo[4,5-f]indole-6,7-dione
InChI:
InChI=1S/C11H9NO4/c1-2-12-7-4-9-8(15-5-16-9)3-6(7)10(13)11(12)14/h3-4H,2,5H2,1H3
InChI Key:
ITQBPAGHSABROR-UHFFFAOYSA-N
SMILES:
CCN1c2cc3OCOc3cc2C(=O)C1=O
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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