1,4-Cyclohexanedicarboxylic acid;chda

• CAS: 1076-97-7
• Catalog Number: ACM1076977
• Category: Other Products
• Molecular Weight: 172.18g/mol
• Molecular Formula: C8H12O4
• Description: DryPowder
• IUPAC Name: cyclohexane-1,4-dicarboxylic acid
• Canonical SMILES: C1CC(CCC1C(=O)O)C(=O)O
• InChI: InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
• InChI Key: PXGZQGDTEZPERC-UHFFFAOYSA-N
• Melting Point: 312.5 °C
• Complexity: 169
• Covalently-Bonded Unit Count: 1
• EC Number: 214-068-6;210-614-2
• Exact Mass: 172.073559g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 172.073559g/mol
• NSC Number: 61121;621
• Rotatable Bond Count: 2
• UNII: 68QED0R44U;18W55738KH
• XLogP3: 0.5