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Home > Indoles and Oxindole > 875666-44-7
875666-44-7 | 1H-Indole-3-ethanol, 5-hydroxy-4,6-dinitro-
CAS No: 875666-44-7 Catalog No: AG004RL2 MDL No:
Product Description
Catalog Number:
AG004RL2
Chemical Name:
1H-Indole-3-ethanol, 5-hydroxy-4,6-dinitro-
CAS Number:
875666-44-7
Molecular Formula:
C10H9N3O6
Molecular Weight:
267.1950
IUPAC Name:
3-(2-hydroxyethyl)-4,6-dinitro-1H-indol-5-ol
InChI:
InChI=1S/C10H9N3O6/c14-2-1-5-4-11-6-3-7(12(16)17)10(15)9(8(5)6)13(18)19/h3-4,11,14-15H,1-2H2
InChI Key:
GIXSYNKWEIQMNM-UHFFFAOYSA-N
SMILES:
OCCc1c[nH]c2c1c([N+](=O)[O-])c(c(c2)[N+](=O)[O-])O
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.049g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
267.197g/mol
Monoisotopic Mass:
267.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| A novel mutagen, 2-(5-hydroxy-4,6-dinitroindolyl) ethanol, formed in the reaction between 5-hydroxytryptamine and nitrite under acid conditions, especially in the presence of L-cysteine. | Mutation research 20051230 |
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