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Home > Indoles and Oxindole > 109210-52-8
109210-52-8 | Ethanone,1-(3,3a,8,8a-tetrahydro-8a-hydroxy-5-methoxypyrrolo[2,3-b]indol-1(2H)-yl)-
CAS No: 109210-52-8 Catalog No: AG007BBK MDL No:
Product Description
Catalog Number:
AG007BBK
Chemical Name:
Ethanone,1-(3,3a,8,8a-tetrahydro-8a-hydroxy-5-methoxypyrrolo[2,3-b]indol-1(2H)-yl)-
CAS Number:
109210-52-8
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
IUPAC Name:
1-(3a-hydroxy-7-methoxy-1,2,4,8b-tetrahydropyrrolo[2,3-b]indol-3-yl)ethanone
InChI:
InChI=1S/C13H16N2O3/c1-8(16)15-6-5-11-10-7-9(18-2)3-4-12(10)14-13(11,15)17/h3-4,7,11,14,17H,5-6H2,1-2H3
InChI Key:
AQOSPGCCTHGZFL-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C1CCN(C1(N2)O)C(=O)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Mechanistic and comparative studies of melatonin and classic antioxidants in terms of their interactions with the ABTS cation radical. | Journal of pineal research 20030501 |
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