2,4-Dihydroxypyrimidine-5-carboxylic acid

• CAS: 23945-44-0
• Catalog Number: ACM23945440
• Category: Pyrimidines
• Molecular Weight: 156.1
• Molecular Formula: C5H4N2O4
• Synonyms: 1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid
• IUPAC Name: 2,4-Dioxo-1H-pyrimidine-5-carboxylic acid
• Canonical SMILES: C1=C(C(=O)NC(=O)N1)C(=O)O
• InChI: InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
• InChI Key: ZXYAAVBXHKCJJB-UHFFFAOYSA-N
• Boiling Point: 280.29 °C
• Melting Point: 283 °C(lit.)
• Flash Point: 295.4 °C
• Density: 1.6814 g/cm³
• Appearance: Crystalline powder
• Storage: Inert atmosphere, room temperature
• Complexity: 268
• Exact Mass: 156.01710661
• Monoisotopic Mass: 156.01710661
• pKa: 5.08±0.20(Predicted)
• Refractive Index: 1.48
• Topological Polar Surface Area: 95.5 Ų

Custom Q&A

What is the molecular formula of 2,4-Dihydroxypyrimidine-5-carboxylic acid?

The molecular formula is C5H4N2O4.

What is the molecular weight of 2,4-Dihydroxypyrimidine-5-carboxylic acid?

The molecular weight is 156.10 g/mol.

What is the IUPAC name of 2,4-Dihydroxypyrimidine-5-carboxylic acid?

The IUPAC name is 2,4-dioxo-1H-pyrimidine-5-carboxylic acid.

What is the InChI representation of 2,4-Dihydroxypyrimidine-5-carboxylic acid?

The InChI representation is InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11).

What is the InChIKey of 2,4-Dihydroxypyrimidine-5-carboxylic acid?

The InChIKey is ZXYAAVBXHKCJJB-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 2,4-Dihydroxypyrimidine-5-carboxylic acid have?

It has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2,4-Dihydroxypyrimidine-5-carboxylic acid have?

It has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of 2,4-Dihydroxypyrimidine-5-carboxylic acid?

The topological polar surface area is 95.5?2.

How many rotatable bond counts does 2,4-Dihydroxypyrimidine-5-carboxylic acid have?

It has 1 rotatable bond count.

What is the exact mass and monoisotopic mass of 2,4-Dihydroxypyrimidine-5-carboxylic acid?

The exact mass and monoisotopic mass are both 156.01710661 g/mol.