4-Pyridinebutanoicacid, α,γ-dioxo-, methyl ester supplier

Name
METHYL 2,4-DIOXO-4-PYRIDIN-4-YLBUTANOATE
EINECS
CAS No. 374063-91-9
Article Data4
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point
Formula C₁₀H₉NO₄
Boiling Point 365.2 °C at 760 mmHg
Molecular Weight 207.186
Flash Point 174.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols T
Synonyms METHYL 2,4-DIOXO-4-PYRIDIN-4-YLBUTANOATE;Methyl 2,4-dioxo-4-pyridin-4-ylbtanoate;4-(3,4-Dioxo-4-methoxybutanoyl)pyridine, Methyl 2,4-dioxo-4-(pyridin-4-yl)butyrate
PSA 73.33000
LogP 0.39650

4-Pyridinebutanoicacid, α,γ-dioxo-, methyl ester Specification

The 4-Pyridinebutanoicacid, α,γ-dioxo-, methyl ester is an organic compound with the formula C₁₀H₉NO₄. The systematic name of this chemical is methyl 2,4-dioxo-4-pyridin-4-ylbutanoate. With the CAS registry number 374063-91-9, it is also named as Methyl 2,4-dioxo-4-(4-pyridinyl)butanoate.

Physical properties about 4-Pyridinebutanoicacid, α,γ-dioxo-, methyl ester are: (1)ACD/LogP: -0.43; (2)ACD/LogD (pH 5.5): -1.34; (3)ACD/LogD (pH 7.4): -2.58; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.72; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 73.33 Å²; (11)Index of Refraction: 1.521; (12)Molar Refractivity: 50.07 cm³; (13)Molar Volume: 164.3 cm³; (14)Polarizability: 19.85×10^-24cm³; (15)Surface Tension: 49.4 dyne/cm; (16)Density: 1.26 g/cm³; (17)Flash Point: 174.6 °C; (18)Enthalpy of Vaporization: 61.14 kJ/mol; (19)Boiling Point: 365.2 °C at 760 mmHg; (20)Vapour Pressure: 1.6E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccncc1)CC(=O)C(=O)OC
(2)InChI: InChI=1/C10H9NO4/c1-15-10(14)9(13)6-8(12)7-2-4-11-5-3-7/h2-5H,6H2,1H3
(3)InChIKey: WOCFUTQLECHXPN-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C10H9NO4/c1-15-10(14)9(13)6-8(12)7-2-4-11-5-3-7/h2-5H,6H2,1H3
(5)Std. InChIKey: WOCFUTQLECHXPN-UHFFFAOYSA-N

Product Name

METHYL 2,4-DIOXO-4-PYRIDIN-4-YLBUTANOATE

4-Pyridinebutanoicacid, α,γ-dioxo-, methyl ester Specification

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