Malonic acid

• CAS: 141-82-2
• Catalog Number: ACM141822
• Category: Micro/NanoElectronics
• Molecular Weight: 104.06
• Molecular Formula: C3H4O4
• Description: The common technique for producing malonic acid is from chloroacetic acid.Malonic acid undergoes thermal decarboxylation at temperatures of 135-137oC.2
• Synonyms: Propane-1,3-dioic acid
• IUPAC Name: Propanedioic acid
• Canonical SMILES: C(C(=O)O)C(=O)O
• InChI: InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
• InChI Key: OFOBLEOULBTSOW-UHFFFAOYSA-N
• Boiling Point: 140 °C
• Melting Point: 132-135 °C(lit.)
• Flash Point: 157 °C
• Density: 1.619 g/cm³ at 25 °C
• Solubility: greater than or equal to 100 mg/mL at 72° F (NTP, 1992);7.33 M;In water, 6.23X10+5 mg/L at 25 °C;In water, 7.66X10+5 mg/L at 20 °C (pH 1-10), EU Guideline Method A.6 (flask method);One gram dissolves in: 0.65 mL water, about 2 mL alcohol, 1.1 mL methanol, 3 mL propyl alcohol, 13 mL ether, 7 mL pyridine;763.0 mg/mL;Solubility in water, g/100ml at 20 °C: 7.3
• Appearance: White liquid
• Storage: Sealed in dry, room temperature
• Assay: ≥99.95% trace metals basis
• Color/Form: White crystals;Crystalline powder;Colorless hygroscopic solid which sublimes in vacuum
• Complexity: 83.1
• Covalently-Bonded Unit Count: 1
• Decomposition: Hazardous decomposition products formed under fire conditions. - Carbon oxides.;When heated to decomposition it emits acrid smoke and irritating fumes.;135 °C
• Defined Atom Stereocenter Count: 0
• EC Number: 205-503-0
• Exact Mass: 104.01095860
• Form: powder
• Formal Charge: 0
• Grade: sublimed grade
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heat of Vaporization: 92 kJ/mol
• Heavy Atom Count: 7
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 2
• ICSC Number: 1085
• Isotope Atom Count: 0
• LogP: -0.81 (LogP);log Kow = -0.81;-0.81;-0.91/-0.18 (calculated)
• MDL Number: MFCD00002707
• Monoisotopic Mass: 104.01095860
• NSC Number: 8124
• Other Experimental: Density: 1.619 g/cu cm at 10 °C;Enthalpy of Sublimation: 72.7 kJ/mol at 306 deg K, 108.0 kJ/mol at 348 deg K;Henry's Law constant = 4.8X10-13 atm-cu m/mole at 23 °C (estimated from vapor pressure and water solubility);Hydroxyl radical reaction rate constant = 1.6X10-12 cu-cm/molc sec at 25 °C (est)
• pH: 3.17 (1 mM solution)
• pKa: 2.83(at 25 °C)
• Quality Level: 100
• Refractive Index: 1.4780
• Rotatable Bond Count: 2
• RTECS Number: OO0175000
• Solubility In Water: 1400 g/L
• Stability: Stable under recommended storage conditions.
• Topological Polar Surface Area: 74.6 Ų
• UNII: 9KX7ZMG0MK
• Vapor Pressure: 0.00 mmHg;2.7X10-6 mm Hg at 23 °C
• XLogP3: -0.8
• XLogP3-AA: -0.8

Custom Q&A

What is the molecular formula of malonic acid?

The molecular formula of malonic acid is C3H4O4.

What is the molecular weight of malonic acid?

The molecular weight of malonic acid is 104.06 g/mol.

What is the IUPAC name of malonic acid?

The IUPAC name of malonic acid is propanedioic acid.

What is the InChIKey of malonic acid?

The InChIKey of malonic acid is OFOBLEOULBTSOW-UHFFFAOYSA-N.

What is the canonical SMILES of malonic acid?

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

What is the CAS number of malonic acid?

The CAS number of malonic acid is 141-82-2.

What is the European Community (EC) number of malonic acid?

The European Community (EC) number of malonic acid is 205-503-0.

What is the UNII of malonic acid?

The UNII of malonic acid is 9KX7ZMG0MK.

What is the Lipid Maps ID (LM_ID) of malonic acid?

The Lipid Maps ID (LM_ID) of malonic acid is LMFA01170041.

What is the Wikipedia page for malonic acid?

The Wikipedia page for malonic acid is "Malonic acid".