2,5-DIHYDROXYCINNAMIC ACID

The CAS register number of 2-Propenoic acid,3-(2,5-dihydroxyphenyl)- is 636-01-1. It also can be called as 2,5-Dihydroxycinnamic acid and the systematic name about this chemical is (2E)-3-(2,5-dihydroxyphenyl)prop-2-enoic acid. The molecular formula about this chemical is C₉H₈O₄ and the molecular weight is 180.16. It belongs to the following product categories which include Aromatic Cinnamic Acids, Esters and Derivatives; Carboxylic Acids; Phenyls & Phenyl-Het; Carboxylic Acids; Phenyls & Phenyl-Het and so on.

Physical properties about 2-Propenoic acid,3-(2,5-dihydroxyphenyl)- are: (1)ACD/LogP: 1.74; (2)ACD/LogD (pH 5.5): -0.29; (3)ACD/LogD (pH 7.4): -1.79; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.97; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 44.76 Å²; (12)Index of Refraction: 1.706; (13)Molar Refractivity: 47.47 cm³; (14)Molar Volume: 121.8 cm³; (15)Polarizability: 18.81x10^-24cm³; (16)Surface Tension: 77.8 dyne/cm; (17)Density: 1.478 g/cm³; (18)Flash Point: 244.8 °C; (19)Enthalpy of Vaporization: 75.66 kJ/mol; (20)Boiling Point: 457.8 °C at 760 mmHg; (21)Vapour Pressure: 3.55E-09 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use 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)SMILES: O=C(O)/C=C/c1cc(O)ccc1O
(2)InChI: InChI=1/C9H8O4/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-1+
(3)InChIKey: JXIPYOZBOMUUCA-DAFODLJHBP
(4)Std. InChI: InChI=1S/C9H8O4/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-1+
(5)Std. InChIKey: JXIPYOZBOMUUCA-DAFODLJHSA-N