1,4-Cubanedicarboxylic Acid

• CAS: 32846-66-5
• Catalog Number: ACM32846665
• Category: Boronic Acids
• Molecular Weight: 192.17g/mol
• Molecular Formula: C10H8O4
• IUPAC Name: cubane-1,4-dicarboxylic acid
• InChI: InChI=1S/C10H8O4/c11-7(12)9-1-2-4(9)6-5(9)3(1)10(2,6)8(13)14/h1-6H,(H,11,12)(H,13,14)
• InChI Key: JFKXMJUMOJJTCQ-UHFFFAOYSA-N
• Complexity: 356
• CompoundIs Canonicalized: Yes
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 192.04225873g/mol
• Formal Charge: 0
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 2
• Isotope Atom Count: 0
• Monoisotopic Mass: 192.04225873g/mol
• NSC Number: 679808;124087
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 74.6Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• XLogP3: -0.7

Custom Q&A

What is the molecular formula of 1,4-Cubanedicarboxylic acid?

The molecular formula of 1,4-Cubanedicarboxylic acid is C10H8O4.

What is the molecular weight of 1,4-Cubanedicarboxylic acid?

The molecular weight of 1,4-Cubanedicarboxylic acid is 192.17 g/mol.

What is the IUPAC name of 1,4-Cubanedicarboxylic acid?

The IUPAC name of 1,4-Cubanedicarboxylic acid is cubane-1,4-dicarboxylic acid.

What is the InChI of 1,4-Cubanedicarboxylic acid?

The InChI of 1,4-Cubanedicarboxylic acid is InChI=1S/C10H8O4/c11-7(12)9-1-2-4(9)6-5(9)3(1)10(2,6)8(13)14/h1-6H,(H,11,12)(H,13,14).

What is the canonical SMILES of 1,4-Cubanedicarboxylic acid?

The canonical SMILES of 1,4-Cubanedicarboxylic acid is C12C3C4C1(C5C2C3(C45)C(=O)O).

What is the CAS number of 1,4-Cubanedicarboxylic acid?

The CAS number of 1,4-Cubanedicarboxylic acid is 32846-66-5.

What is the XLogP3-AA value of 1,4-Cubanedicarboxylic acid?

The XLogP3-AA value of 1,4-Cubanedicarboxylic acid is -0.7.

How many hydrogen bond donor counts does 1,4-Cubanedicarboxylic acid have?

1,4-Cubanedicarboxylic acid has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 1,4-Cubanedicarboxylic acid have?

1,4-Cubanedicarboxylic acid has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does 1,4-Cubanedicarboxylic acid have?

1,4-Cubanedicarboxylic acid has 2 rotatable bond counts.