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Home > Indoles and Oxindole > 119151-36-9
119151-36-9 | 5,6-dihydroxy-2,3-dihydro-1H-indole-2,3-dione
CAS No: 119151-36-9 Catalog No: AG019UI4 MDL No:MFCD11857844
Product Description
Catalog Number:
AG019UI4
Chemical Name:
5,6-dihydroxy-2,3-dihydro-1H-indole-2,3-dione
CAS Number:
119151-36-9
Molecular Formula:
C8H5NO4
Molecular Weight:
179.1296
MDL Number:
MFCD11857844
IUPAC Name:
5,6-dihydroxy-1H-indole-2,3-dione
InChI:
InChI=1S/C8H5NO4/c10-5-1-3-4(2-6(5)11)9-8(13)7(3)12/h1-2,10-11H,(H,9,12,13)
InChI Key:
KMFFETWPWLONNU-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)cc(c(c2)O)O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.131g/mol
Monoisotopic Mass:
179.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| π-Electron manipulation of the 5,6-dihydroxyindole/quinone system by 3-alkynylation: mild acid-mediated entry to (cross)-conjugated scaffolds and paradigms for medium-tunable chromophores. | The Journal of organic chemistry 20110603 |
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