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CAS 131170-40-6

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4-(1-Methylcyclopropyl)benzoic acid

Description:
4-(1-Methylcyclopropyl)benzoic acid is an organic compound characterized by its benzoic acid structure substituted with a 1-methylcyclopropyl group at the para position. This compound features a carboxylic acid functional group, which imparts acidic properties and allows for hydrogen bonding, influencing its solubility in polar solvents. The presence of the cyclopropyl ring contributes to its unique steric and electronic properties, potentially affecting its reactivity and interactions with other molecules. The compound is typically a solid at room temperature and may exhibit moderate to low solubility in water, while being more soluble in organic solvents. Its molecular structure suggests potential applications in pharmaceuticals, agrochemicals, or as a building block in organic synthesis. Additionally, the compound's specific characteristics, such as melting point, boiling point, and spectral data, can provide further insights into its behavior and applications in various chemical contexts. Safety data should be consulted for handling and storage, as with any chemical substance.
Formula:C11H12O2
InChI:InChI=1S/C11H12O2/c1-11(6-7-11)9-4-2-8(3-5-9)10(12)13/h2-5H,6-7H2,1H3,(H,12,13)
InChI key:InChIKey=MJEMBQXUGUQDEK-UHFFFAOYSA-N
SMILES:CC1(CC1)C2=CC=C(C(O)=O)C=C2
Synonyms:
  • 4-(1-Methylcyclopropyl)benzoic acid
  • Benzoic acid, 4-(1-methylcyclopropyl)-
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