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