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6-Nitroindan-1-one

CAT: 0024-sc-262881ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-262881ASize:5 g
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CAS Number
24623-24-3

Chemical Information

6-Nitroindan-1-one
CAS Number24623-24-3
PubChem CID90562
IUPAC Name6-nitro-2,3-dihydroinden-1-one
Molecular FormulaC9H7NO3
Molecular Weight177.16
XLogP1.5
Topological Polar Surface Area62.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity246
SMILES
C1CC(=O)C2=C1C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H7NO3/c11-9-4-2-6-1-3-7(10(12)13)5-8(6)9/h1,3,5H,2,4H2
InChIKey
MLRACZPAMDFORH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Nitroindan-1-one
CAS: 24623-24-3
CID: 90562
Formula: C9H7NO3
MW: 177.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.16
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass177.042593085
Monoisotopic Mass177.042593085
Topological Polar Surface Area62.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity246
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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