p-(1-Adamantyl)phenyl nicotinate

[4-(1-adamantyl)phenyl] pyridine-3-carboxylate

CAS: 76928-29-5

Molecular Formula	`C22H23NO2`
Molecular Weight	333.4 g/mol
LogP	5.7
Topological Polar Surface Area	39.2 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	333.17288
Heavy Atoms	25
Complexity	467.0

Chemical Identifiers

CAS Number	76928-29-5
SMILES	`C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OC(=O)C5=CN=CC=C5`
InChIKey	`DBKLIGHGFZVBFK-UHFFFAOYSA-N`

📖 Product Overview

p-(1-Adamantyl)phenyl nicotinate (CAS: 76928-29-5) is a chemical compound with molecular formula C22H23NO2 and molecular weight 333.4 g/mol. Its IUPAC systematic name is [4-(1-adamantyl)phenyl] pyridine-3-carboxylate. LogP 5.7 Topological Polar Surface Area 39.2 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 333.17288 Heavy Atoms 25 Complexity 467.0 InChI Key: DBKLIGHGFZVBFK-UHFFFAOYSA-N. SMILES: C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OC(=O)C5=CN=CC=C5.

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