1,8-Octanedioic-d12 acid

• Catalog Number: ACM169397993
• Product Name: 1,8-Octanedioic-d12 acid
• CAS: 169397-99-3
• Category: Heterocyclic Organic Compound
• Synonyms: 2,2,3,3,4,4,5,5,6,6,7,7-dodecadeuteriooctanedioic acid
• IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7-dodecadeuteriooctanedioic acid
• Molecular Weight: 186.27
• Molecular Formula: C₈H₂D₁₂O₄
• InChI: InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)/i1D2,2D2,3D2,4D2,5D2,6D2
• InChI Key: TYFQFVWCELRYAO-LBTWDOQPSA-N
• Chemical Formula: HOOC(CD2)6COOH
• Isomeric SMILES: [2H]C([2H])(C(=O)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O

Custom Q&A

What is the molecular formula of 1,8-Octanedioic-d12 acid?

The molecular formula of 1,8-Octanedioic-d12 acid is C8H14O4.

What is the molecular weight of 1,8-Octanedioic-d12 acid?

The molecular weight of 1,8-Octanedioic-d12 acid is 186.27 g/mol.

What is the IUPAC name of 1,8-Octanedioic-d12 acid?

The IUPAC name of 1,8-Octanedioic-d12 acid is 2,2,3,3,4,4,5,5,6,6,7,7-dodecadeuteriooctanedioic acid.

What is the InChI of 1,8-Octanedioic-d12 acid?

The InChI of 1,8-Octanedioic-d12 acid is InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)/i1D2,2D2,3D2,4D2,5D2,6D2.

What is the InChIKey of 1,8-Octanedioic-d12 acid?

The InChIKey of 1,8-Octanedioic-d12 acid is TYFQFVWCELRYAO-LBTWDOQPSA-N.

What is the canonical SMILES of 1,8-Octanedioic-d12 acid?

The canonical SMILES of 1,8-Octanedioic-d12 acid is C(CCCC(=O)O)CCC(=O)O.

What is the isomeric SMILES of 1,8-Octanedioic-d12 acid?

The isomeric SMILES of 1,8-Octanedioic-d12 acid is [2H]C([2H])(C(=O)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O.

What is the XLogP3 value of 1,8-Octanedioic-d12 acid?

The XLogP3 value of 1,8-Octanedioic-d12 acid is 1.

How many hydrogen bond donor counts does 1,8-Octanedioic-d12 acid have?

1,8-Octanedioic-d12 acid has 2 hydrogen bond donor counts.

How many rotatable bond counts does 1,8-Octanedioic-d12 acid have?

1,8-Octanedioic-d12 acid has 7 rotatable bond counts.