1H-Indole-5,6-dione, 2,3-dihydro-3-hydroxy-1-methyl-


Chemical Name: 1H-Indole-5,6-dione, 2,3-dihydro-3-hydroxy-1-methyl-
CAS Number: 54-06-8
Product Number: AG00DA31(AGN-PC-041AN4)
Synonyms:
MDL No:
Molecular Formula: C9H9NO3
Molecular Weight: 179.1727

Identification/Properties


Computed Properties
Molecular Weight:
179.175g/mol
XLogP3:
-1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
179.058g/mol
Monoisotopic Mass:
179.058g/mol
Topological Polar Surface Area:
57.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
354
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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