1,3-Acetonedicarboxylic Acid

• CAS: 542-05-2
• Catalog Number: ACM-MO-542052
• Category: Polymer/Macromolecule; Dicarboxylic Acid Monomers
• Molecular Weight: 146.1 g/mol
• Molecular Formula: C5H6O5
• Description: Solid
• Synonyms: 3-Oxoglutaric Acid;; 3-Oxopentanedioic Acid
• IUPAC Name: 3-Oxopentanedioic acid
• Canonical SMILES: C(C(=O)CC(=O)O)C(=O)O
• InChI: InChI=1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)
• InChI Key: OXTNCQMOKLOUAM-UHFFFAOYSA-N
• Boiling Point: 185.67 °C
• Melting Point: 126 °C (dec.)
• Flash Point: 214.9 °C
• Density: 1.2821 g/cm³
• Solubility: Soluble in alcohol.
• Appearance: White to Light Yellow to Light Orange Powder to Crystal
• Application: This product is suitable for scientific research.
• Storage: <0 °C
• Complexity: 153
• Condition To Avoid: Heat Sensitive
• Covalently-Bonded Unit Count: 1
• EC Number: 208-797-9
• Exact Mass: 146.02152329
• Features And Benefits: 1. High quality products; 2. Fast delivery; 3. Additional products can be ordered, please contact us for details
• Formal Charge: 0
• Grade: technical grade
• H-Bond Acceptor: 5
• H-Bond Donor: 2
• Heavy Atom Count: 10
• MDL Number: MFCD00002711
• Monoisotopic Mass: 146.02152329
• NACRES: NA.23
• Physical State: Solid
• PubChem ID: 24850123
• Quality Level: 200
• Refractive Index: 1.3920
• Rotatable Bond Count: 4
• Storage Temperature: -20°C
• Topological Polar Surface Area: 91.7 Ų
• UNII: IH7P7WO21P
• XLogP3: -0.7

Custom Q&A

What is the molecular formula of 1,3-Acetonedicarboxylic acid?

The molecular formula of 1,3-Acetonedicarboxylic acid is C5H6O5.

What is the molecular weight of 1,3-Acetonedicarboxylic acid?

The molecular weight of 1,3-Acetonedicarboxylic acid is 146.10 g/mol.

What is the IUPAC name of 1,3-Acetonedicarboxylic acid?

The IUPAC name of 1,3-Acetonedicarboxylic acid is 3-oxopentanedioic acid.

What is the InChIKey of 1,3-Acetonedicarboxylic acid?

The InChIKey of 1,3-Acetonedicarboxylic acid is OXTNCQMOKLOUAM-UHFFFAOYSA-N.

What is the CAS number of 1,3-Acetonedicarboxylic acid?

The CAS number of 1,3-Acetonedicarboxylic acid is 542-05-2.

How many hydrogen bond donor counts are there in 1,3-Acetonedicarboxylic acid?

There are 2 hydrogen bond donor counts in 1,3-Acetonedicarboxylic acid.

How many hydrogen bond acceptor counts are there in 1,3-Acetonedicarboxylic acid?

There are 5 hydrogen bond acceptor counts in 1,3-Acetonedicarboxylic acid.

What is the exact mass of 1,3-Acetonedicarboxylic acid?

The exact mass of 1,3-Acetonedicarboxylic acid is 146.02152329 g/mol.

What is the topological polar surface area of 1,3-Acetonedicarboxylic acid?

The topological polar surface area of 1,3-Acetonedicarboxylic acid is 91.7Ų.

How many rotatable bond counts are there in 1,3-Acetonedicarboxylic acid?

There are 4 rotatable bond counts in 1,3-Acetonedicarboxylic acid.