2-Cyano-3-(2-thienyl)acrylic acid supplier

Name
2-Cyano-3-(2-thienyl)acrylic acid
EINECS
CAS No. 58177-53-0
Density 1.442 g/cm³
Solubility
Melting Point 217-220 °C
Formula C₈H₅NO₂S
Boiling Point 354.4 °C at 760 mmHg
Molecular Weight 179.199
Flash Point 168.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Propenoicacid, 2-cyano-3-(2-thienyl)-, (E)-;
PSA 89.33000
LogP 1.73968

2-Cyano-3-(2-thienyl)acrylic acid Specification

The 2-Cyano-3-(2-thienyl)acrylic acid, with the CAS registry number of 58177-53-0, is also known as 2-Cyano-3-(thien-2-yl)acrylic acid. This chemical's molecular formula is C₈H₅NO₂S and molecular weight is 179.2. What's more, its systematic name is called (2Z)-2-Cyano-3-(thiophen-2-yl)prop-2-enoic acid.

Physical properties about 2-Cyano-3-(2-thienyl)acrylic acid are: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 78.33 Å²; (11)Index of Refraction: 1.671; (12)Molar Refractivity: 46.48 cm³; (13)Molar Volume: 124.2 cm³; (14)Surface Tension: 70.1 dyne/cm; (15)Density: 1.442 g/cm³; (16)Flash Point: 168.1 °C; (17)Enthalpy of Vaporization: 63.25 kJ/mol; (18)Boiling Point: 354.4 °C at 760 mmHg; (19)Vapour Pressure: 1.24E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(\C#N)=C/c1sccc1
(2) InChI: InChI=1/C8H5NO2S/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H,10,11)/b6-4-
(3) InChIKey: QYGBYAQGBVHMDD-XQRVVYSFBB

Product Name

2-Cyano-3-(2-thienyl)acrylic acid

2-Cyano-3-(2-thienyl)acrylic acid Specification

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