rac-(1R,2R)-2-(4-cyanophenyl)cyclopropane-1-carboxylic acid, trans


Chemical Name: rac-(1R,2R)-2-(4-cyanophenyl)cyclopropane-1-carboxylic acid, trans
CAS Number: 1119807-15-6
Product Number: AG01A2SZ(AG01A2SZ)
Synonyms:
MDL No:
Molecular Formula: C11H9NO2
Molecular Weight: 187.1947

Identification/Properties


Computed Properties
Molecular Weight:
187.198g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
187.063g/mol
Monoisotopic Mass:
187.063g/mol
Topological Polar Surface Area:
61.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
283
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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Chemical Structure



trans-2-(4-cyanophenyl)cyclopropanecarboxylic acid, commonly abbreviated as $name$, plays a crucial role in chemical synthesis as a versatile building block for creating complex molecules. This specialized compound is renowned for its ability to serve as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and advanced materials. By introducing $name$ into a synthesis pathway, chemists can efficiently manipulate its unique structural features to introduce specific functional groups, stereochemistry, and reactivity into the final product. This enables the precise control of molecular architecture and properties, making $name$ a valuable tool in the development of novel chemical entities with tailored functionalities and applications.