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4-Nitroindanone

CAT: 0013-GTR19254384-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254384-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4-Nitroindanone , with CAS No. 24623-25-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 4-Nitroindanone provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
24623-25-4
Product Name Alternative
Compound 24623 25 4, Compound 24623254
Purity
99.68% (May vary between batches)
Smiles
[O-][N+] (=O) C1=C2CCC (=O) C2=CC=C1
Molecular Formula
C9H7NO3
Molecular Weight
177.159
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

4-Nitroindan-1-one
CAS Number24623-25-4
PubChem CID90563
IUPAC Name4-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/c11-9-5-4-6-7(9)2-1-3-8(6)10(12)13/h1-3H,4-5H2
InChIKey
QIIWEVWPOBNGLP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitroindan-1-one
CAS: 24623-25-4
CID: 90563
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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