3-Pyridinebutanoicacid, a,g-dioxo-, methyl ester supplier

Name
METHYL 2,4-DIOXO-4-PYRIDIN-3-YLBUTANOATE
EINECS
CAS No. 23424-36-4
Article Data4
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point
Formula C₁₀H₉NO₄
Boiling Point 372.2 °C at 760 mmHg
Molecular Weight 207.186
Flash Point 178.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols T
Synonyms Methyl-2,4-dioxo-4-(3-pyridinyl)butanoat;
PSA 73.33000
LogP 0.39650

3-Pyridinebutanoicacid, a,g-dioxo-, methyl ester Specification

The 3-Pyridinebutanoicacid, a,g-dioxo-, methyl ester, with the CAS registry number of 23424-36-4, is also known as Methyl-2,4-dioxo-4-(3-pyridinyl)butanoat. This chemical's molecular formula is C₁₀H₉NO₄ and molecular weight is 207.18. What's more, its IUPAC name is Methyl 2,4-dioxo-4-pyridin-3-ylbutanoate.

Physical properties about the 3-Pyridinebutanoicacid, a,g-dioxo-, methyl ester are: (1)ACD/LogP: -0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.34; (4)ACD/LogD (pH 7.4): -1.57; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.58; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 73.33 Å²; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 50.07 cm³; (15)Molar Volume: 164.3 cm³; (16)Surface Tension: 49.4 dyne/cm; (17)Density: 1.26 g/cm³; (18)Flash Point: 178.9 °C; (19)Enthalpy of Vaporization: 61.93 kJ/mol; (20)Boiling Point: 372.2 °C at 760 mmHg; (21)Vapour Pressure: 9.81E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cccnc1)CC(=O)C(=O)OC
(2) InChI: InChI=1/C10H9NO4/c1-15-10(14)9(13)5-8(12)7-3-2-4-11-6-7/h2-4,6H,5H2,1H3
(3) InChIKey: RDKSBIHJNITCTI-UHFFFAOYAJ

Product Name

METHYL 2,4-DIOXO-4-PYRIDIN-3-YLBUTANOATE

3-Pyridinebutanoicacid, a,g-dioxo-, methyl ester Specification

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