2,4-Dioxo-4-(3-pyridinyl)butanoic acid supplier

Name
2,4-DIOXO-4-PYRIDIN-3-YLBUTANOIC ACID
EINECS
CAS No. 394655-14-2
Density 1.39 g/cm³
Solubility
Melting Point
Formula C₉H₇NO₄
Boiling Point 404.5 °C at 760 mmHg
Molecular Weight 193.16
Flash Point 198.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2,4-DIOXO-4-PYRIDIN-3-YLBUTANOIC ACID
PSA 84.33000
LogP 0.30810

2,4-Dioxo-4-(3-pyridinyl)butanoic acid Specification

The 2,4-Dioxo-4-(3-pyridinyl)butanoic acid is an organic compound with the formula C₉H₇NO₄. The systematic name of this chemical is 2,4-dioxo-4-(pyridin-3-yl)butanoic acid. With the CAS registry number 394655-14-2, it is also named as 3-pyridinebutanoic acid, α,γ-dioxo-.

Physical properties about 2,4-Dioxo-4-(3-pyridinyl)butanoic acid are: (1)ACD/LogP: -0.96; (2)ACD/LogD (pH 5.5): -4.21; (3)ACD/LogD (pH 7.4): -4.97; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 73.33 Å²; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 45.23 cm³; (14)Molar Volume: 138.9 cm³; (15)Polarizability: 17.93×10^-24cm³; (16)Surface Tension: 64 dyne/cm; (17)Density: 1.39 g/cm³; (18)Flash Point: 198.4 °C; (19)Enthalpy of Vaporization: 69.17 kJ/mol; (20)Boiling Point: 404.5 °C at 760 mmHg; (21)Vapour Pressure: 2.87E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cccnc1)CC(=O)C(=O)O
(2)InChI: InChI=1/C9H7NO4/c11-7(4-8(12)9(13)14)6-2-1-3-10-5-6/h1-3,5H,4H2,(H,13,14)
(3)InChIKey: PISWNSJFMUGNKU-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H7NO4/c11-7(4-8(12)9(13)14)6-2-1-3-10-5-6/h1-3,5H,4H2,(H,13,14)
(5)Std. InChIKey: PISWNSJFMUGNKU-UHFFFAOYSA-N

Product Name

2,4-DIOXO-4-PYRIDIN-3-YLBUTANOIC ACID

2,4-Dioxo-4-(3-pyridinyl)butanoic acid Specification

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