cis-4-Cyclohexene-1,2-dicarboxylic Acid

• CAS: 2305-26-2
• Catalog Number: ACM-MO-2305262
• Category: Other Products; Dicarboxylic Acid Monomers
• Molecular Weight: 170.16 g/mol
• Molecular Formula: C8H10O4
• Synonyms: cis-Δ4-Tetrahydrophthalic Acid
• IUPAC Name: (1R,2S)-cyclohex-4-ene-1,2-dicarboxylic acid
• Canonical SMILES: C1C=CCC(C1C(=O)O)C(=O)O
• InChI: InChI=1S/C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-2,5-6H,3-4H2,(H,9,10)(H,11,12)/t5-,6+
• InChI Key: ILUAAIDVFMVTAU-OLQVQODUSA-N
• Melting Point: 168 °C
• Solubility: Soluble in methanol.
• Appearance: White Powder to Crystal
• Complexity: 207
• Covalently-Bonded Unit Count: 1
• EC Number: 218-974-2
• Exact Mass: 170.057909g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 170.057909g/mol
• Physical State: Solid
• Rotatable Bond Count: 2
• UNII: 8D02S2924W
• XLogP3: 0.4