-
Name
(E)-3-(furan-2-yl)acrylic acid
- EINECS
- CAS No. 15690-24-1
- Article Data117
- CAS DataBase
- Density 1.28 g/cm3
- Solubility
- Melting Point
- Formula C7H6O3
- Boiling Point 286 °C at 760 mmHg
- Molecular Weight 138.123
- Flash Point 106.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms (E)-3-(2-Furyl)acrylic acid;(E)-3-(2-Furyl)propenoic acid;(E)-3-(Furan-2-yl)-2-propenoic acid;(E)-3-(Furan-2-yl)acrylic acid;NSC 74521;trans-2-Furanacrylic acid;trans-3-(2-Furanyl)-2-propenoic acid;trans-b-2-Furylacrylic acid;2-Furanacrylicacid, (E)- (8CI);2-Propenoic acid, 3-(2-furanyl)-, (E)-;(2E)-3-(2-Furanyl)-2-propenoic acid;(2E)-3-(2-Furyl)-2-propenoic acid;(2E)-3-(Furan-2-yl)prop-2-enoic acid;
- PSA 50.44000
- LogP 1.37740
2-Propenoic acid,3-(2-furanyl)-, (2E)- Specification
The 2-Propenoic acid,3-(2-furanyl)-, (2E)-, with the CAS registry number 15690-24-1, is also known as (E)-3-(Furan-2-yl)acrylic acid. This chemical's molecular formula is C7H6O3 and molecular weight is 138.12. What's more, its systematic name is (2E)-3-(Furan-2-yl)prop-2-enoic acid.
Physical properties of 2-Propenoic acid,3-(2-furanyl)-, (2E)- are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): -0.9; (5)ACD/BCF (pH 5.5): 1.5; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.04; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.44 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 36 cm3; (15)Molar Volume: 107.8 cm3; (16)Polarizability: 14.27×10-24 cm3; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 106.8 °C; (20)Enthalpy of Vaporization: 55.46 kJ/mol; (21)Boiling Point: 286 °C at 760 mmHg; (22)Vapour Pressure: 0.00127 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=COC(=C1)C=CC(=O)O
(2)InChI: InChI=1S/C7H6O3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)/b4-3+
(3)InChIKey: ZCJLOOJRNPHKAV-ONEGZZNKSA-N
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