CAS No.4739-94-0,ETHYL 1,4-BENZODIOXAN-2-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4739-94-0
Name:	ETHYL 1,4-BENZODIOXAN-2-CARBOXYLATE
Article Data:	17

Formula:	C₁₁H₁₂O₄
Molecular Weight:	208.214
Synonyms:	1,4-Benzodioxan-2-carboxylicacid, ethyl ester (7CI,8CI);2,3-Dihydro-1,4-benzodioxin-2-carboxylic acidethyl ester;Ethyl 1,4-benzodioxan-2-carboxylate;Ethyl1,4-benzodioxane-2-carboxylate;Ethyl 2,3-dihydro-1,4-benzodioxin-2-carboxylate;
Density:	1.208
Boiling Point:	287.2 °C at 760 mmHg
Flash Point:	123.6 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	44.76000
LogP:	1.38950

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Specification

The Ethyl 1,4-benzodioxan-2-carboxylate, with cas registry number 4739-94-0, has the systematic name of ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate. Besides this, it is also called 1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, ethyl ester. What's more, its refractive index is 1.523. This chemical is harmful if swallowed.

Physical properties about this chemical are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19.47; (6)ACD/BCF (pH 7.4): 19.47; (7)ACD/KOC (pH 5.5): 291.4; (8)ACD/KOC (pH 7.4): 291.4; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 52.6 cm³; (15)Molar Volume: 172.4 cm³; (16)Polarizability: 20.85×10^-24cm³; (17)Surface Tension: 41.1 dyne/cm; (18)Enthalpy of Vaporization: 52.63 kJ/mol; (19)Vapour Pressure: 0.00252 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C1Oc2c(OC1)cccc2
(2)InChI: InChI=1/C11H12O4/c1-2-13-11(12)10-7-14-8-5-3-4-6-9(8)15-10/h3-6,10H,2,7H2,1H3
(3)InChIKey: DDIGEMWIKJMEIU-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C11H12O4/c1-2-13-11(12)10-7-14-8-5-3-4-6-9(8)15-10/h3-6,10H,2,7H2,1H3
(5)Std. InChIKey: DDIGEMWIKJMEIU-UHFFFAOYSA-N