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2-Propenoic acid,3-(2,5-dihydroxyphenyl)-

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Name

2-Propenoic acid,3-(2,5-dihydroxyphenyl)-

EINECS N/A
CAS No. 636-01-1 Density 1.478 g/cm3
PSA 77.76000 LogP 1.19560
Solubility N/A Melting Point 207 °C
Formula C9H8O4 Boiling Point 457.8 °C at 760 mmHg
Molecular Weight 180.16 Flash Point 244.8 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 636-01-1 (2,5-DIHYDROXYCINNAMIC ACID) Hazard Symbols IrritantXi
Synonyms

Cinnamicacid, 2,5-dihydroxy- (8CI);2,5-Dihydroxycinnamic acid;

 

2-Propenoic acid,3-(2,5-dihydroxyphenyl)- Specification

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

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