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14939-92-5

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Basic Information
CAS No.: 14939-92-5
Name: 3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)PROPANOIC ACID
Article Data: 3
Molecular Structure:
Molecular Structure of 14939-92-5 (3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)PROPANOIC ACID)
Formula: C11H12O4
Molecular Weight: 208.214
Synonyms: 3,4-(Ethylenedioxy)hydrocinnamic acid;3-(3,4-Ethylenedioxyphenyl)propionic acid;1,4-Benzodioxan-6-propionicacid (8CI);
Density: 1.282 g/cm3
Melting Point: 67.5-69.5 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
Boiling Point: 366 °C at 760 mmHg
Flash Point: 145.3 °C
PSA: 55.76000
LogP: 1.47500
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Specification

The 1,4-Benzodioxin-6-propanoicacid, 2,3-dihydro- is an organic compound with the formula C11H12O4. The systematic name of this chemical is 3-(2,3-Dihydro-1,4-benzodioxin-6-yl)propanoic acid. With the CAS registry number 14939-92-5, it is also named as 3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-propionic acid. Besides, its molecular weight is 208.21.

The physical properties of 1,4-Benzodioxin-6-propanoicacid, 2,3-dihydro- are: (1)ACD/LogP: 1.51; (2)ACD/LogD (pH 5.5): 0.52; (3)ACD/LogD (pH 7.4): -1.28; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 16.28; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 44.76 Å2; (12)Index of Refraction: 1.563; (13)Molar Refractivity: 52.77 cm3; (14)Molar Volume: 162.2 cm3; (15)Polarizability: 20.92×10-24 cm3; (16)Surface Tension: 54.4 dyne/cm; (17)Density: 1.282 g/cm3; (18)Flash Point: 145.3 °C; (19)Enthalpy of Vaporization: 64.6 kJ/mol; (20)Boiling Point: 366 °C at 760 mmHg; (21)Vapour Pressure: 5.34E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCc1ccc2OCCOc2c1
(2)InChI: InChI=1/C11H12O4/c12-11(13)4-2-8-1-3-9-10(7-8)15-6-5-14-9/h1,3,7H,2,4-6H2,(H,12,13)
(3)InChIKey: JYAJUMPCPQRKKU-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C11H12O4/c12-11(13)4-2-8-1-3-9-10(7-8)15-6-5-14-9/h1,3,7H,2,4-6H2,(H,12,13)
(5)Std. InChIKey: JYAJUMPCPQRKKU-UHFFFAOYSA-N