3-Cyclopropylbenzoicacid

CAS: 1129-06-2

Ref. 3D-FC147527

Informação sobre produto

• Nome: 3-Cyclopropylbenzoicacid
• Sinónimos: Benzoic acid, 3-cyclopropyl-

Descrição

3-Cyclopropylbenzoicacid is a cyclic organic compound that contains an epoxide group. It has the empirical formula of C6H8O2 and a molecular weight of 150.07 g/mol. 3-Cyclopropylbenzoic acid has been used in the synthesis of ethylenimine, as well as styrenes and vinyl compounds. The compound has a linear shape with atomic orbital constants of 2.5, 2.0, 1.5, and 1.0 for the three orbitals in order from the highest energy to lowest energy orbital. The nitrogen atom is found in the second orbital from the highest energy orbital which is 2pσ1/2, and it also contains a lone pair in the third orbital from the highest energy orbital which is 2pσ3/2. The molecule contains two double bonds that are separated by one single bond on each side. This leads to its resonance between two possible structures:

• Marca: Biosynth

Propriedades químicas

• Peso molecular: 162.19 g/mol
• Fórmula: C₁₀H₁₀O₂
• Pureza: Min. 95%
• InChI: InChI=1S/C10H10O2/c11-10(12)9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2,(H,11,12)
• Chave InChI: InChIKey=RQRAQQYDNSRVRK-UHFFFAOYSA-N
• SMILES: O=C(O)c1cccc(C2CC2)c1