1-ethoxycarbonylcyclopent-3-ene-1-carboxylic acid


Chemical Name: 1-ethoxycarbonylcyclopent-3-ene-1-carboxylic acid
CAS Number: 76910-08-2
Product Number: AG003D38(AGN-PC-04Q6DA)
Synonyms:
MDL No: MFCD04115568
Molecular Formula: C9H12O4
Molecular Weight: 184.1892

Identification/Properties


Computed Properties
Molecular Weight:
184.191g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
184.074g/mol
Monoisotopic Mass:
184.074g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
246
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The compound 1-(Ethoxycarbonyl)cyclopent-3-enecarboxylic acid is a versatile building block in chemical synthesis. Its unique structure makes it a valuable intermediate in the preparation of various organic compounds. One of its key applications is in the synthesis of pharmaceuticals, where it can be used as a precursor in the creation of drug molecules. Additionally, its reactivity allows for efficient incorporation of functional groups, enabling the synthesis of diverse organic molecules with specific properties. This compound plays a crucial role in the field of organic chemistry, offering chemists a powerful tool for designing and creating new compounds with tailored properties.