2-Propenoic acid, 3-(4-hydroxyphenyl)-, (2Z)-


Chemical Name: 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (2Z)-
CAS Number: 4501-31-9
Product Number: AG00DDC4(AGN-PC-0OAHQ1)
Synonyms:
MDL No:
Molecular Formula: C9H8O3
Molecular Weight: 164.15802

Identification/Properties


Computed Properties
Molecular Weight:
164.16g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
164.047g/mol
Monoisotopic Mass:
164.047g/mol
Topological Polar Surface Area:
57.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
178
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



Cis-4-hydroxycinnamic acid, a versatile compound widely utilized in chemical synthesis, serves as a key building block in the production of various pharmaceuticals, agrochemicals, and specialty chemicals. Through its strategic incorporation into organic reactions, cis-4-hydroxycinnamic acid enables the formation of complex molecular structures with specific stereochemistry and functional group arrangements. This compound plays a crucial role in the synthesis of natural products, such as flavonoids and lignans, by acting as a precursor for diverse chemical transformations including esterification, condensation, and oxidation reactions. Moreover, cis-4-hydroxycinnamic acid demonstrates exceptional reactivity and selectivity, making it a valuable tool for synthetic chemists seeking to design novel compounds with tailored properties and enhanced biological activities.