2-ethoxycarbonylspiro[3.3]heptane-6-carboxylic acid


Chemical Name: 2-ethoxycarbonylspiro[3.3]heptane-6-carboxylic acid
CAS Number: 28114-90-1
Product Number: AG00CEOI(AGN-PC-0JO336)
Synonyms:
MDL No:
Molecular Formula: C11H16O4
Molecular Weight: 212.2423

Identification/Properties


Properties
BP:
343.7°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
212.245g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
212.105g/mol
Monoisotopic Mass:
212.105g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
283
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



6-(Ethoxycarbonyl)spiro[3.3]heptane-2-carboxylic acid, a versatile compound used in chemical synthesis, plays a crucial role in the preparation of various organic molecules. This compound is particularly valued for its ability to serve as a key building block in the synthesis of complex pharmaceuticals, agrochemicals, and other fine chemicals by acting as a precursor in the creation of diverse chemical structures. Its unique spirocyclic structure imparts specific stereochemical properties to the molecules it is incorporated into, making it a valuable tool for the creation of stereochemically complex compounds. Beyond its utility in pharmaceutical and agrochemical synthesis, this compound is also employed in materials chemistry to construct novel materials with tailored properties.