Oxobutanedioic acid

• Catalog Number: ACM328427
• Product Name: Oxobutanedioic acid
• CAS: 328-42-7
• Category: Heterocyclic Organic Compound
• Synonyms: Oxalacetic acid hybri-maxtm
• IUPAC Name: 2-Oxobutanedioic acid
• Molecular Weight: 132.07
• Molecular Formula: C4H4O5
• Canonical SMILES: C(C(=O)C(=O)O)C(=O)O
• InChI: InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)
• InChI Key: KHPXUQMNIQBQEV-UHFFFAOYSA-N
• Boiling Point: 163.94 °C
• Melting Point: 161 °C(lit.)
• Flash Point: 88 °C
• Density: 1.3067 g/cm³
• Solubility: Soluble in water
• Appearance: White to off-white powder
• Storage: -20 °C
• Complexity: 158
• Exact Mass: 132.00587322
• Hazard Statements: C
• Monoisotopic Mass: 132.00587322
• pKa: 2.22(at 25 °C)
• Refractive Index: 1.4000
• Safety Description: 26-36/37/39-45
• Supplemental Hazard Statements: H314-H318
• Symbol: GHS05
• Topological Polar Surface Area: 91.7 Ų

Custom Q&A

What is the molecular formula of oxobutanedioic acid?

The molecular formula of oxobutanedioic acid is C4H4O5.

What is the molecular weight of oxobutanedioic acid?

The molecular weight of oxobutanedioic acid is 132.07 g/mol.

What are the synonyms of oxobutanedioic acid?

The synonyms of oxobutanedioic acid are oxalacetic acid, oxaloacetic acid, 2-oxobutanedioic acid, and 2-oxosuccinic acid.

What is the IUPAC name of oxobutanedioic acid?

The IUPAC name of oxobutanedioic acid is 2-oxobutanedioic acid.

What is the InChI of oxobutanedioic acid?

The InChI of oxobutanedioic acid is InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9).

What is the InChIKey of oxobutanedioic acid?

The InChIKey of oxobutanedioic acid is KHPXUQMNIQBQEV-UHFFFAOYSA-N.

What is the canonical SMILES of oxobutanedioic acid?

The canonical SMILES of oxobutanedioic acid is C(C(=O)C(=O)O)C(=O)O.

What is the CAS number of oxobutanedioic acid?

The CAS number of oxobutanedioic acid is 328-42-7.

What is the molecular weight of oxobutanedioic acid based on PubChem?

The molecular weight of oxobutanedioic acid based on PubChem is 132.07 g/mol.

What is the topological polar surface area of oxobutanedioic acid?

The topological polar surface area of oxobutanedioic acid is 91.7 ?2.