1-Nitro-3-phenylpropan-2-one structure

1-Nitro-3-phenylpropan-2-one

1-nitro-3-phenylpropan-2-one

Also Known As: 1-nitro-3-phenylpropan-2-one|1-nitro-3-phenylacetone|2-Propanone, 1-nitro-3-phenyl-

CAS: 85199-47-9
Molecular Formula C9H9NO3
Molecular Weight 179.05824 g/mol
LogP 1.0749
Topological Polar Surface Area 60.21 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 4
Exact Mass 179.05824
Monoisotopic Mass 179.05824
Heavy Atoms 13
Complexity 307.89566

Chemical Identifiers

CAS Number 85199-47-9
SMILES C1=CC=C(C=C1)CC(=O)C[N+](=O)[O-]

Product Overview

1-Nitro-3-phenylpropan-2-one (CAS 85199-47-9), with molecular formula C9H9NO3 and molecular weight 179.05824 g/mol. IUPAC: 1-nitro-3-phenylpropan-2-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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