3-Quinolinecarboxylic acid, 5,6,7,8-tetrahydro-


Chemical Name: 3-Quinolinecarboxylic acid, 5,6,7,8-tetrahydro-
CAS Number: 82345-76-4
Product Number: AG00J3GO(AGN-PC-03FTQT)
Synonyms:
MDL No:
Molecular Formula: C10H11NO2
Molecular Weight: 177.1998

Identification/Properties


Computed Properties
Molecular Weight:
177.203g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
177.079g/mol
Monoisotopic Mass:
177.079g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
205
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

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NMR Spectrum


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Chemical Structure



The 5,6,7,8-Tetrahydroquinoline-3-carboxylic acid is a versatile compound widely used in chemical synthesis as a key building block. Its unique structure and reactivity make it a valuable tool in the creation of various organic molecules. In synthetic chemistry, this compound serves as a key intermediate in the synthesis of diverse pharmaceuticals, agrochemicals, and fine chemicals. A crucial aspect of its application lies in its ability to undergo various chemical transformations, such as alkylation, acylation, and condensation reactions, to yield structurally complex and biologically active compounds. Additionally, 5,6,7,8-Tetrahydroquinoline-3-carboxylic acid plays a significant role in the development of novel materials and in medicinal chemistry, where its derivatives exhibit promising pharmacological activities. Its utilization extends to the preparation of heterocyclic compounds and natural product synthesis, highlighting its importance in the realm of organic chemistry.