Butanoic acid,2,4-dioxo- supplier

Name
3-formylpyruvic acid
EINECS
CAS No. 1069-50-7
Article Data4
CAS DataBase
Density 1.387 g/cm³
Solubility
Melting Point
Formula C₄H₄O₄
Boiling Point 223.9 °C at 760 mmHg
Molecular Weight 116.073
Flash Point 103.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Succinaldehydicacid, 2-oxo- (7CI,8CI);2,4-Dioxobutanoic acid;
PSA 71.44000
LogP -0.77090

Butanoic acid,2,4-dioxo- Specification

The Butanoic acid, 2, 4-dioxo-, with the CAS registry number 1069-50-7, is also known as 3-Formylpyruvic acid. This chemical's molecular formula is C₄H₄O₄ and molecular weight is 116.07. What's more, its IUPAC name is 2, 4-Dioxobutanoic acid.

Physical properties about Butanoic acid, 2, 4-dioxo- are: (1)ACD/LogP: -1.47; (2) of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.43; (4)ACD/LogD (pH 7.4): -6.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 60.44 Å²; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 22.36 cm³; (15)Molar Volume: 83.6 cm³; (16)Polarizability: 8.86×10^-24 cm³; (17)Surface Tension: 54.3 dyne/cm; (18)Density: 1.387 g/cm³; (19)Flash Point: 103.5 °C; (20)Enthalpy of Vaporization: 50.72 kJ/mol; (21)Boiling Point: 223.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0345 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=CCC(=O)C(=O)O
(2) InChI: InChI=1/C4H4O4/c5-2-1-3(6)4(7)8/h2H,1H2,(H,7,8)
(3) InChIKey: YEZSWHPLZBZVLH-UHFFFAOYAR

Product Name

3-formylpyruvic acid

Butanoic acid,2,4-dioxo- Specification

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