CAS No.6607-34-7,2,3,7,8-tetrahydro-2,5,8-benzotrioxacycloundecine-1,9-dione Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6607-34-7
Name:	2,3,7,8-tetrahydro-2,5,8-benzotrioxacycloundecine-1,9-dione

Formula:	C₁₀H₁₆O₅
Molecular Weight:	216.231
Synonyms:	2,3,7,8-Tetrahydro-2,5,8-benzotrioxacycloundecine-1,9-dione;
EINECS:	229-554-3
Density:	1.099 g/cm³
Melting Point:	79-80℃
Boiling Point:	458.1 °C at 760 mmHg
Flash Point:	208.9 °C
PSA:	61.83000
LogP:	0.66340

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Specification

This product is an organic compound with the formula C₁₀H₁₆O₅. The IUPAC name of this chemical is 1,4,7-Trioxacyclotridecane-8,13-dione. With the CAS registry number 6607-34-7, it is also named as 2,3,7,8-Tetrahydro-2,5,8-benzotrioxacycloundecine-1,9-dione. Its EINECS registry number is 229-554-3. In addition, the molecular weight is 216.231.

Physical properties about 1,4,7-Trioxacyclotridecane-8,13-dione are: (1)ACD/LogP: -1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.21; (4)ACD/LogD (pH 7.4): -1.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.22; (8)ACD/KOC (pH 7.4): 5.22; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.433; (14)Molar Refractivity: 51.19 cm³; (15)Molar Volume: 196.7 cm³; (16)Polarizability: 20.29×10^-24 cm³; (17)Surface Tension: 33.2 dyne/cm; (18)Density: 1.099 g/cm³; (19)Flash Point: 208.9 °C; (20)Enthalpy of Vaporization: 71.84 kJ/mol; (21)Boiling Point: 458.1 °C at 760 mmHg; (22)Vapour Pressure: 1.41E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1OCCOCCOC(=O)CCCC1
(2) InChI: InChI=1/C10H16O5/c11-9-3-1-2-4-10(12)15-8-6-13-5-7-14-9/h1-8H2
(3) InChIKey: PMDHMYFSRFZGIO-UHFFFAOYAG