1,3,5-CYCLOHEXANETRICARBOXYLIC ACID

• CAS: 25357-95-3
• Catalog Number: ACM25357953
• Category: Other Products
• Molecular Weight: 216.19g/mol
• Molecular Formula: C9H12O6
• Synonyms: 1,3,5-CYCLOHEXANETRICARBOXYLIC ACID;CYCLOHEXANE-1,3,5-TRICARBOXYLIC ACID;1,3,5-Cyclohexanetricarboxylic Acid (cis- and trans- mixture)
• IUPAC Name: cyclohexane-1,3,5-tricarboxylic acid
• Canonical SMILES: C1C(CC(CC1C(=O)O)C(=O)O)C(=O)O
• InChI: InChI=1S/C9H12O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h4-6H,1-3H2,(H,10,11)(H,12,13)(H,14,15)
• InChI Key: FTHDNRBKSLBLDA-UHFFFAOYSA-N
• Complexity: 237
• Covalently-Bonded Unit Count: 1
• Exact Mass: 216.063388g/mol
• Formal Charge: 0
• H-Bond Acceptor: 6
• H-Bond Donor: 3
• Heavy Atom Count: 15
• Monoisotopic Mass: 216.063388g/mol
• NSC Number: 409575
• Rotatable Bond Count: 3
• XLogP3: -0.3