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Home > Indoles and Oxindole > 52351-75-4
52351-75-4 | 6-Methoxy-2,3-Dioxyindole
CAS No: 52351-75-4 Catalog No: AG0034D8 MDL No:MFCD00667731
Product Description
Catalog Number:
AG0034D8
Chemical Name:
6-Methoxy-2,3-Dioxyindole
CAS Number:
52351-75-4
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD00667731
IUPAC Name:
6-methoxy-1H-indole-2,3-dione
InChI:
InChI=1S/C9H7NO3/c1-13-5-2-3-6-7(4-5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12)
InChI Key:
MOJHIZLOKWRPIS-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)NC(=O)C2=O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Design and evaluation of a novel fluorescent CB2 ligand as probe for receptor visualization in immune cells. | Bioorganic & medicinal chemistry letters 20111001 |
| Two new alkaloids from Capparis himalayensis. | Chemical & pharmaceutical bulletin 20080201 |
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