3-(3-THIENYL)ACRYLIC ACID

The 2-Propenoic acid,3-(3-thienyl)-, (2E)-, with the CAS registry number 102696-71-9, is also known as trans-3-(3-Thienyl)acrylic acid. Its EINECS number is 214-800-4. It belongs to the product categories of Sulphur Derivatives; Heterocyclic Compounds. This chemical's molecular formula is C₇H₆O₂S and molecular weight is 154.19. What's more, its systematic name is (2E)-3-(Thiophen-3-yl)prop-2-enoic acid. The product should be sealed and stored in containers which are placed in cool and dry places. It should be protected from strong oxidizers and strong bases. What's more, it should be ensured that the workshop is well ventilated or equipped with exhaust device.

Physical properties of 2-Propenoic acid,3-(3-thienyl)-, (2E)- are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): -0.68; (5)ACD/BCF (pH 5.5): 2.28; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.75; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.54 Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 42.09 cm³; (15)Molar Volume: 114.5 cm³; (16)Polarizability: 16.68×10^-24 cm³; (17)Surface Tension: 57.3 dyne/cm; (18)Density: 1.346 g/cm³; (19)Flash Point: 134.6 °C; (20)Enthalpy of Vaporization: 56.9 kJ/mol; (21)Boiling Point: 298.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000551 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC=C1C=CC(=O)O
(2)InChI: InChI=1S/C7H6O2S/c8-7(9)2-1-6-3-4-10-5-6/h1-5H,(H,8,9)/b2-1+
(3)InChIKey: VYRYYUKILKRGDN-OWOJBTEDSA-N