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| CAS No.: | 14939-91-4 |
|---|---|
| Name: | 3-(2,3-Dihydro-1,4-benzodioxin-6-yl)acrylic acid |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C11H10O4 |
| Molecular Weight: | 206.198 |
| Synonyms: | 1,4-Benzodioxan-6-acrylicacid (8CI);1,4-Benzodioxin, 2-propenoic acid deriv.;3-(2,3-Dihydro-1,4-benzodioxin-6-yl)acrylic acid;(2E)-3-(2,3-Dihydro-1,4-benzodioxin-6-yl)prop-2-enoate; |
| Density: | 1.339 |
| Melting Point: | 196-198 °C |
| Boiling Point: | 377 °C at 760 mmHg |
| Flash Point: | 151.6 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 55.76000 |
| LogP: | 1.55560 |
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Specification
The 2-Propenoic acid, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-, with the CAS registry number 14939-91-4, is also known as 3-(2,3-Dihydro-1,4-benzodioxin-6-yl)acrylic acid. This chemical's molecular formula is C11H10O4 and molecular weight is 206.19. What's more, its systematic name is (2E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate.
Physical properties of 2-Propenoic acid, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)- are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): -0.77; (5)ACD/BCF (pH 5.5): 1.87; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.78; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.76 Å2; (13)Flash Point: 151.6 °C; (14)Enthalpy of Vaporization: 65.9 kJ/mol; (15)Boiling Point: 377 °C at 760 mmHg; (16)Vapour Pressure: 2.36E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)\C=C\c1ccc2OCCOc2c1
(2)InChI: InChI=1S/C11H10O4/c12-11(13)4-2-8-1-3-9-10(7-8)15-6-5-14-9/h1-4,7H,5-6H2,(H,12,13)/p-1/b4-2+
(3)InChIKey: KPDOZWMLNDDCDJ-DUXPYHPUSA-M