2H-Inden-2-one, 1,3-dihydro-5-nitro-


Chemical Name: 2H-Inden-2-one, 1,3-dihydro-5-nitro-
CAS Number: 116530-60-0
Product Number: AG000CP5(AGN-PC-0K63WA)
Synonyms:
MDL No:
Molecular Formula: C9H7NO3
Molecular Weight: 177.1568

Identification/Properties


Computed Properties
Molecular Weight:
177.159g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
177.043g/mol
Monoisotopic Mass:
177.043g/mol
Topological Polar Surface Area:
62.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
246
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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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