(S)-(-)-1,2,3,4-Tetrahedro-naphthoic acid (CAS 85977-52-2)

(S)-1,2,3,4-tetrahydro-1-naphthoic acid

CAS 85977-52-2  ·  C11H12O2  ·  MW 176.21 g/mol

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3D model (S)-1,2,3,4-tetrahydro-1-naphthoic acid, CAS 85977-52-2, molecular formula C11H12O2, molar mass 176.21 g/mol
About (S)-(-)-1,2,3,4-Tetrahedro-naphthoic acid (CAS 85977-52-2)

(S)-(-)-1,2,3,4-Tetrahedro-naphthoic acid (CAS 85977-52-2) is a chemical compound registered under number CAS 85977-52-2, with the molecular formula C11H12O2, and a molar mass of 176.21 g/mol.

The molecule contains 25 atoms connected by 26 chemical bonds. The full systematic IUPAC name of this compound is (1S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 2.4 (positive value, a lipophilic compound), polar surface area PSA = 37.3 Ų, 1 donors and 2 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Wzór sumarycznyC11H12O2
Masa molowa176.21 g/mol
IUPAC(1S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
SMILESC1C[C@@H](C2=CC=CC=C2C1)C(=O)O
InChIKeyVDLWTJCSPSUGOA-JTQLQIEISA-N
logP (XLogP3)2.4
PSA37.3 Ų
HBD / HBA1 / 2
PubChem CIDCID 24820460 ↗
Scientific literature

Related literature

15 artykułów · 2 open access · Źródła: PubMed, OpenAlex, Semantic Scholar

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
85977-52-2 · (S)-1,2,3,4-tetrahydro-1-naphthoic acid · (S)-1,2,3,4-tetrahedro-naphthoic acid · (1S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid · MFCD07368365 · (S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid · SCHEMBL2796237 · AKOS015833089 · AC-6928 · (S)-1,2,3,4-tetrahydro-1-naphthoicacid · H11405 · (S)-1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid · (S)-1,2,3,4-Tetrahydronaphthoic acid · (1S)-tetralin-1-carboxylic acid · (S)-1,2,3,4-tetrahydro-naphthoic acid
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