acetone

Synonyms: " 2-propanone"

Source: Acetone is a widely used chemical, as an important building block in organic synthesis, as a solvent and nail polish remover, among others.

Identifiers:

IUPAC Name: propan-2-one
CAS Number: 67-64-1
PubChem ID: 180
InChiKey: CSCPPACGZOOCGX-UHFFFAOYSA-N
Canonical SMILES: CC(=O)C

Structural Properties:

Molecular Formula: C₃H₆O
Molecular Weight: 58.080

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 4

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Mitran E, Callender T, Orha B, Dragnea P, Botezatu G. 1997. Neurotoxicity associated with occupational exposure to acetone, methyl ethyl ketone, and cyclohexanone. Environ Res 73(1-2):181-188. DOI: 10.1006/enrs.1997.3703. URL: https://www.sciencedirect.com/science/article/pii/S0013935197937038?via%3Dihub.