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CAS Number: 1034019-13-0
(E)-3-(3-((E)-3-ethoxy-3-oxoprop-1-en-1-yl)phenyl)acrylic acid

Structure

(E)-3-(3-((E)-3-ethoxy-3-oxoprop-1-en-1-yl)phenyl)acrylic acid
Name: (E)-3-(3-((E)-3-ethoxy-3-oxoprop-1-en-1-yl)phenyl)acrylic acid
Synonyms:
General Information
Product Number: 1034019130
CAS Registry Number: 1034019-13-0
Name:
2-​Propenoic acid, 3-​[3-​[(1E)​-​2-​carboxyethenyl]​phenyl]​-​, 1-​ethyl ester, (2E)​-
Deleted CAS Registry Numbers: 1356847-​72-​7
 
Chemical Formula: C14H14O4
Exact Mass: 246.09
Molecular Weight: 246.26
m/z: 246.09 (100.0%), 247.09 (15.3%), 248.10 (1.1%)
Elemental Analysis: C, 68.28; H, 5.73; O, 25.99
 
InChI: InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
InChIKey: AVOLMBLBETYQHX-UHFFFAOYSA-N
Canonical SMILES : CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl

Specification

98%

References

PCT Int. Appl. (2009), WO 2009150129 A1 20091217.

PCT Int. Appl. (2008), WO 2008072784 A1 20080619.

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