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3,3-dimethylbutan-2-one; nitromethane

3,3-dimethylbutan-2-one; nitromethane

Systemtic Name:3,3-dimethylbutan-2-one; nitromethane
Openeye Name:3,3-dimethylbutan-2-one; nitromethane
CAS Name:3,3-dimethyl-2-butanone; nitromethane
IUPAC Name:3,3-dimethylbutan-2-one; nitromethane
Traditional Name:nitromethane; pinacolone
Formula: C7H15NO3
MolecularWeight: 161.1989
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)C.C[N+](=O)[O-]


Isomeric SMILES

CC(=O)C(C)(C)C.C[N+](=O)[O-]


InChI

InChI=1S/C6H12O.CH3NO2/c1-5(7)6(2,3)4;1-2(3)4/h1-4H3;1H3


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