3-(4-methylphenyl)adamantane-1-carboxylic acid

CAS: 56531-69-2

Molecular Formula	`C18H22O2`
Molecular Weight	270.4 g/mol
LogP	4.2
Topological Polar Surface Area	37.3 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	2
Exact Mass	270.162
Heavy Atoms	20
Complexity	405.0

Chemical Identifiers

CAS Number	56531-69-2
SMILES	`CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)O`
InChIKey	`UWPMIBVQZDSYNA-UHFFFAOYSA-N`

📖 Product Overview

3-(4-methylphenyl)adamantane-1-carboxylic acid (CAS: 56531-69-2) is a chemical compound with molecular formula C18H22O2 and molecular weight 270.4 g/mol. Its IUPAC systematic name is 3-(4-methylphenyl)adamantane-1-carboxylic acid. LogP 4.2 Topological Polar Surface Area 37.3 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 2 Exact Mass 270.162 Heavy Atoms 20 Complexity 405.0 InChI Key: UWPMIBVQZDSYNA-UHFFFAOYSA-N. SMILES: CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)O.

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