1,3-Cyclohexanedicarboxylic acid

• CAS: 3971-31-1
• Catalog Number: ACM3971311
• Category: Polymer/Macromolecule
• Molecular Weight: 172.18g/mol
• Molecular Formula: C8H12O4
• Synonyms: 1,3-CYCLOHEXANEDICARBOXYLIC ACID;1,3-cyclohexanedicarboxylicacid,mixtureof;1,3-Cyclohexanedicarboxylic acid,mixture of cis and trans;1,3-CYCLOHEXANEDICARBOXYLIC ACID, 98%, M IXTURE OF CIS AND TRANS;CYCLOHEXANE-1,3-DICARBOXYLIC ACID;1,3-cyclohexanedicarbox
• IUPAC Name: cyclohexane-1,3-dicarboxylic acid
• Canonical SMILES: C1CC(CC(C1)C(=O)O)C(=O)O
• InChI: InChI=1S/C8H12O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
• InChI Key: XBZSBBLNHFMTEB-UHFFFAOYSA-N
• Complexity: 179
• Covalently-Bonded Unit Count: 1
• EC Number: 432-490-0
• 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
• Rotatable Bond Count: 2
• XLogP3: 0.7