ALPHA-CYANO-4-HYDROXYCINNAMIC ACID

The alpha-Cyano-4-hydroxycinnamic acid with its cas register number is 28166-41-8. It also can be called as 2-Propenoic acid,2-cyano-3-(4-hydroxyphenyl)- and the IUPAC Name about this chemical is 2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid. It belongs to the following product categories, such as Analytical Chemistry, Mass Spectrometry, Matrix Materials (MALDI-TOF-MS) and so on. This chemical is a cinnamic acid derivative and is a member of the phenylpropanoid family. It is used as a matrix for peptides and nucleotides in MALDI mass spectrometry analyses.

Physical properties about alpha-Cyano-4-hydroxycinnamic acid are: (1)ACD/LogP: 1.53; (2)ACD/LogD (pH 5.5): -2.13; (3)ACD/LogD (pH 7.4): -2.22; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 59.32Ų; (12)Index of Refraction: 1.674; (13)Molar Refractivity: 49.97 cm³; (14)Molar Volume: 133.1 cm³; (15)Polarizability: 19.81x10^-24cm³; (16)Surface Tension: 74.5 dyne/cm; (17)Enthalpy of Vaporization: 68.4 kJ/mol; (18)Vapour Pressure: 4.73E-07 mmHg at 25°C.

Uses of alpha-Cyano-4-hydroxycinnamic acid: it can be used to produce 2-cyano-3-(4-hydroxy-phenyl)-acrylic acid 3,7-dimethyl-octyl ester with Dihydrorhodinol. It will need reagent MeOCOCl, NH₃. The yield is about 40%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C=C(C#N)C(=O)O)O
(2)InChI: InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)
(3)InChIKey: AFVLVVWMAFSXCK-UHFFFAOYSA-N