4-Propoxycinnamic acid supplier

Name
3-(4-PROPOXYPHENYL)ACRYLIC ACID
EINECS
CAS No. 69033-81-4
Article Data44
CAS DataBase
Density 1.132 g/cm³
Solubility
Melting Point 166.0 to 172.0 °C
Formula C₁₂H₁₄O₃
Boiling Point 364.8 °C at 760 mmHg
Molecular Weight 206.241
Flash Point 140.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(4-PROPOXYPHENYL)ACRYLIC ACID
PSA 46.53000
LogP 2.57320

4-Propoxycinnamic acid Specification

This chemical is called 4-Propoxycinnamic acid, and its systematic name is (2E)-3-(4-propoxyphenyl)prop-2-enoic acid. With the molecular formula of C₁₂H₁₄O₃, its molecular weight is 206.24. The CAS registry number of this chemical is 69033-81-4. In addition, this chemical is irritant, please be careful when you use it.

Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 0.22; (5)ACD/BCF (pH 5.5): 8.05; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 59.46; (8)ACD/KOC (pH 7.4): 1.08; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 59.65 cm³; (15)Molar Volume: 182 cm³; (16)Polarizability: 23.64×10^-24cm³; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.132 g/cm³; (19)Flash Point: 140.4 °C; (20)Enthalpy of Vaporization: 64.46 kJ/mol; (21)Boiling Point: 364.8 °C at 760 mmHg; (22)Vapour Pressure: 5.82E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)\C=C\c1ccc(OCCC)cc1
2.InChI: InChI=1/C12H14O3/c1-2-9-15-11-6-3-10(4-7-11)5-8-12(13)14/h3-8H,2,9H2,1H3,(H,13,14)/b8-5+
3.InChIKey: WTYNDSOJMSGRQV-VMPITWQZBG

Product Name

3-(4-PROPOXYPHENYL)ACRYLIC ACID

4-Propoxycinnamic acid Specification

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