(2S)-3,6-Dioxo-1,4-dioxane-2-propanoic acid benzyl ester supplier

Name
(2S)-3,6-Dioxo-1,4-dioxane-2-propanoic acid benzyl ester
EINECS
CAS No. 872139-38-3
Article Data1
CAS DataBase
Density 1.286 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₄O₆
Boiling Point 463.8 °C at 760 mmHg
Molecular Weight 278.26
Flash Point 208.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2S)-3,6-Dioxo-1,4-dioxane-2-propanoic acid benzyl ester
PSA 78.90000
LogP 0.97860

(2S)-3,6-Dioxo-1,4-dioxane-2-propanoic acid benzyl ester Specification

The cas register number of (2S)-3,6-Dioxo-1,4-dioxane-2-propanoic acid benzyl ester is 872139-38-3. It also can be called as and the Systematic name about this chemical is 1,4-dioxane-2-propanoic acid, 3,6-dioxo-, phenylmethyl ester, (2S)-.

Physical properties about (2S)-3,6-Dioxo-1,4-dioxane-2-propanoic acid benzyl ester are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 19.29; (4)ACD/KOC (pH 7.4): 19.29; (5)#H bond acceptors: 6; (6)#Freely Rotating Bonds: 6; (7)Polar Surface Area: 78.9Å²; (8)Index of Refraction: 1.529; (9)Molar Refractivity: 66.77 cm³; (10)Molar Volume: 216.3 cm³; (11)Polarizability: 26.47x10^-24cm³; (12)Surface Tension: 47.9 dyne/cm; (13)Enthalpy of Vaporization: 72.52 kJ/mol; (14)Boiling Point: 463.8 °C at 760 mmHg; (15)Vapour Pressure: 8.78E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)COC(=O)CC[C@H]2C(=O)OCC(=O)O2
(2)InChI: InChI=1/C14H14O6/c15-12(18-8-10-4-2-1-3-5-10)7-6-11-14(17)19-9-13(16)20-11/h1-5,11H,6-9H2/t11-/m0/s1
(3)InChIKey: PLDPTZUGHSJPIL-NSHDSACABZ
(4)Std. InChI: InChI=1S/C14H14O6/c15-12(18-8-10-4-2-1-3-5-10)7-6-11-14(17)19-9-13(16)20-11/h1-5,11H,6-9H2/t11-/m0/s1
(5)Std. InChIKey: PLDPTZUGHSJPIL-NSHDSACASA-N

Product Name

(2S)-3,6-Dioxo-1,4-dioxane-2-propanoic acid benzyl ester

(2S)-3,6-Dioxo-1,4-dioxane-2-propanoic acid benzyl ester Specification

Related Products

Hot Products