2-Propenoic acid,3-(4,5-dimethoxy-2-nitrophenyl)- supplier

Name
4,5-DIMETHOXY-2-NITROCINNAMIC ACID
EINECS
CAS No. 20567-38-8
Article Data2
CAS DataBase
Density 1.369 g/cm³
Solubility
Melting Point 293 °C
Formula C₁₁H₁₁NO₆
Boiling Point 482.9 °C at 760 mmHg
Molecular Weight 253.211
Flash Point 245.8 °C
Transport Information
Appearance yellow to green powder
Safety 24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Cinnamicacid, 4,5-dimethoxy-2-nitro- (7CI,8CI);
PSA 101.58000
LogP 2.23300

2-Propenoic acid,3-(4,5-dimethoxy-2-nitrophenyl)- Specification

The 2-Propenoic acid,3-(4,5-dimethoxy-2-nitrophenyl)-, with the CAS registry number 20567-38-8, is also known as Acide (2E)-3-(4,5-diméthoxy-2-nitrophényl)acrylique. It belongs to the product categories of Aromatic Cinnamic Acids; Esters and Derivatives. This chemical's molecular formula is C₁₁H₁₁NO₆ and molecular weight is 253.21. What's more, its systematic name is called (2E)-3-(4,5-Dimethoxy-2-nitrophenyl)prop-2-enoic acid. It is yellow to green powder. When you are dealing with this chemical, you should avoid contacting with skin and eyes. It should be kept in a cold and dry place.

Physical properties about 2-Propenoic acid,3-(4,5-dimethoxy-2-nitrophenyl)- are: (1) ACD/LogP: 2.26; (2) ACD/LogD (pH 5.5): 0.27; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 4.18; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 7; (8) #H bond donors: 1; (9)#Freely Rotating Bonds: 5; (10) Polar Surface Area: 90.58 Å²; (11) Index of Refraction: 1.604; (12) Molar Refractivity: 63.6 cm³; (13) Molar Volume: 184.8 cm³; (14) Surface Tension: 53.8 dyne/cm; (15) Density: 1.369 g/cm³; (16) Flash Point: 245.8 °C; (17) Enthalpy of Vaporization: 78.77 kJ/mol; (18) Boiling Point: 482.9 °C at 760 mmHg; (19) Vapour Pressure: 3.9E-10 mmHg at 25 °C; (20) Melting Point: 293 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cc(OC)c(OC)cc1\C=C\C(=O)O
(2) InChI: InChI=1/C11H11NO6/c1-17-9-5-7(3-4-11(13)14)8(12(15)16)6-10(9)18-2/h3-6H,1-2H3,(H,13,14)/b4-3+
(3) InChIKey: BZIRMMAJZSOLEW-ONEGZZNKBM

Product Name

4,5-DIMETHOXY-2-NITROCINNAMIC ACID

2-Propenoic acid,3-(4,5-dimethoxy-2-nitrophenyl)- Specification

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