2-Propenoic acid,3-phenyl-, (2Z)- supplier

Name
allocinnamic acid
EINECS
CAS No. 102-94-3
Article Data136
CAS DataBase
Density 1.185 g/cm³
Solubility 8.45g/L(25 oC)
Melting Point 42°C
Formula C₉H₈O₂
Boiling Point 264.999 °C at 760 mmHg
Molecular Weight 148.161
Flash Point 189.53 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Propenoicacid, 3-phenyl-, (Z)-;Cinnamic acid, (Z)- (8CI);Cinnamic acid, cis- (7CI);(Z)-3-Phenyl-2-propenoic acid;(Z)-Cinnamic acid;Allocinnamic acid;Isocinnamic acid;cis-Cinnamic acid;cis-b-Carboxystyrene;
PSA 37.30000
LogP 1.78440

2-Propenoic acid,3-phenyl-, (2Z)- Specification

The 2-Propenoic acid,3-phenyl-, (2Z)-, with the CAS registry number 102-94-3, has the systematic name of (2Z)-3-phenylprop-2-enoic acid. It is also called (Z)-3-Phenyl-2-propenoic acid. And the molecular formula of this chemical is C₉H₈O₂.

The physical properties of 2-Propenoic acid,3-phenyl-, (2Z)- are as following: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12; (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: 37.3 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 43.707 cm³; (15)Molar Volume: 125.035 cm³; (16)Polarizability: 17.327×10^-24cm³; (17)Surface Tension: 49.725 dyne/cm; (18)Density: 1.185 g/cm³; (19)Flash Point: 189.53 °C; (20)Enthalpy of Vaporization: 53.129 kJ/mol; (21)Boiling Point: 264.999 °C at 760 mmHg; (22)Vapour Pressure: 0.005 mmHg at 25°C.

Uses of 2-Propenoic acid,3-phenyl-, (2Z)-: It can react with 3H-thiophene-2-thione to produce 3-(2-mercaptothiopheneyl)-3-phenyl propionic acid. This reaction will need reagent Et₃N, and the solvent tetrahydrofuran. The reaction time is 21 hours with heating, and the yield is about 95%.

2-Propenoic acid,3-phenyl-, (2Z)- can react with 3H-thiophene-2-thione to produce 3-(2-mercaptothiopheneyl)-3-phenyl propionic acid

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)\C=C/c1ccccc1
(2)InChI: InChI=1/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6-
(3)InChIKey: WBYWAXJHAXSJNI-SREVYHEPBT

Product Name

allocinnamic acid

2-Propenoic acid,3-phenyl-, (2Z)- Specification

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