1,3-Dioxolane-4,4-diaceticacid, 5-oxo- supplier

Name
5-oxo-1,3-dioxolan-4-ylidenedi(acetic acid)
EINECS 205-618-6
CAS No. 144-16-1
Article Data15
CAS DataBase
Density 1.568 g/cm³
Solubility 47.7g/L(20 oC)
Melting Point
Formula C₇H₈O₇
Boiling Point 537.4 °C at 760 mmHg
Molecular Weight 204.136
Flash Point 226.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Oxo-1,3-dioxolan-4-ylidenedi;
PSA 110.13000
LogP -0.79450

1,3-Dioxolane-4,4-diaceticacid, 5-oxo- Specification

The 1,3-Dioxolane-4,4-diaceticacid, 5-oxo-, with the CAS registry number 144-16-1, is also known as 5-Oxo-1,3-dioxolan-4-ylidenedi. Its EINECS registry number is 205-618-6. This chemical's molecular formula is C₇H₈O₇ and molecular weight is 204.1342. What's more, its IUPAC name is 2-[4-(Carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid.

Physical properties about 1,3-Dioxolane-4,4-diaceticacid, 5-oxo- are: (1)ACD/LogP: -1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.56; (4)ACD/LogD (pH 7.4): -6.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 88.13 Å²; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 38.86 cm³; (15)Molar Volume: 130.1 cm³; (16)Polarizability: 15.4×10^-24 cm³; (17)Surface Tension: 63.4 dyne/cm; (18)Density: 1.568 g/cm³; (19)Flash Point: 226.7 °C; (20)Enthalpy of Vaporization: 89.06 kJ/mol; (21)Boiling Point: 537.4 °C at 760 mmHg; (22)Vapour Pressure: 5.63E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC1(OCOC1=O)CC(=O)O
(2) InChI: InChI=1/C7H8O7/c8-4(9)1-7(2-5(10)11)6(12)13-3-14-7/h1-3H2,(H,8,9)(H,10,11)
(3) InChIKey: PXPMCAKTYKAROX-UHFFFAOYAZ

Product Name

5-oxo-1,3-dioxolan-4-ylidenedi(acetic acid)

1,3-Dioxolane-4,4-diaceticacid, 5-oxo- Specification

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