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16909-09-4

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Basic Information
CAS No.: 16909-09-4
Name: 2,4-DIMETHOXYCINNAMIC ACID
Article Data: 23
Molecular Structure:
Molecular Structure of 16909-09-4 (2,4-DIMETHOXYCINNAMIC ACID)
Formula: C11H12O4
Molecular Weight: 208.214
Synonyms: 2-Propenoicacid, 3-(2,4-dimethoxyphenyl)-, (E)-;Cinnamic acid, 2,4-dimethoxy-, (E)-(8CI);(E)-2,4-Dimethoxycinnamic acid;(E)-3-(2,4-Dimethoxyphenyl)-2-propenoicacid;2,4-Dimethoxycinnamic acid, (E)-;trans-2,4-Dimethoxycinnamic acid;
EINECS: 230-208-9
Density: 1.203 g/cm3
Melting Point: 192-194 ºC(lit.)
Boiling Point: 384.4oC at 760 mmHg
Flash Point: 151.8oC
Appearance: Solid
PSA: 55.76000
LogP: 1.80160
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Specification

The 2-Propenoic acid,3-(2,4-dimethoxyphenyl)-, (2E)-, with the CAS registry number 16909-09-4, is also known as trans-2,4-Dimethoxycinnamic acid. Its EINECS number is 240-955-2. It belongs to the product categories of Aromatic Cinnamic Acids, Esters and Derivatives; C11 to C12; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C11H12O4 and molecular weight is 208.21. What's more, its IUPAC name is (E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid. The product should be sealed and stored in containers which are placed in cool and dry places. It should be protected from oxidizers.

Physical properties of 2-Propenoic acid,3-(2,4-dimethoxyphenyl)-, (2E)- are: (1)XLogP3: 1.8; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 4; (5)Exact Mass: 208.073559; (6)MonoIsotopic Mass: 208.073559; (7)Topological Polar Surface Area: 55.8; (8)Heavy Atom Count: 15; (9)Formal Charge: 0; (10)Complexity: 237; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 1; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1; (17)Feature 3D Acceptor Count: 4; (18)Feature 3D Anion Count: 1; (19)Feature 3D Ring Count: 1; (20)Effective Rotor Count: 4; (21)Conformer Sampling RMSD: 0.6; (22)CID Conformer Count: 10.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=C(C=C1)C=CC(=O)O)OC
(2)InChI: InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+
(3)InChIKey: YIKHDPHTFYWYJV-GQCTYLIASA-N