2-Phenylbutyric Acid

CAS 90-27-7  ·  C10H12O2  ·  MW 164.20 g/mol

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3D model 2-Phenylbutyric Acid, CAS 90-27-7, molecular formula C10H12O2, molar mass 164.20 g/mol
About 2-Phenylbutyric Acid

2-Phenylbutyric Acid is a chemical compound registered under number CAS 90-27-7, with the molecular formula C10H12O2, and a molar mass of 164.20 g/mol.

The molecule contains 24 atoms connected by 24 chemical bonds. The full systematic IUPAC name of this compound is 2-phenylbutanoic 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 = 2.3 (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
Molecular formulaC10H12O2
Masa molowa164.20 g/mol
IUPAC2-phenylbutanoic acid
SMILESCCC(C1=CC=CC=C1)C(=O)O
InChIKeyOFJWFSNDPCAWDK-UHFFFAOYSA-N
logP (XLogP3)2.3
PSA37.3 Ų
HBD / HBA1 / 2
PubChem CIDCID 7012 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

Scientific literature

Related literature

15 articles · 3 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (15 articles)

1904: 1 articles19041946: 1 articles1951: 1 articles1978: 1 articles1994: 2 articles1998: 1 articles1999: 1 articles19992007: 1 articles2008: 1 articles2009: 1 articles2020: 1 articles2026: 1 articles2026

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(2007) · Mountains Painted with Turmeric
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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
2-Phenylbutyric acid · 2-Phenylbutanoic acid · 90-27-7 · alpha-Ethylphenylacetic acid · Butyric acid, 2-phenyl- · alpha-Phenylbutyric acid · Benzeneacetic acid, alpha-ethyl- · alpha-Phenyl butyric acid · NSC1860 · NSC-1860 · S7S079H2C2 · CHEBI:86545 · RefChem:478145 · DTXCID40810569 · 201-982-5
Data sources
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License & Provenance

MolGod 3D molecular model
2-Phenylbutyric Acid — CAS 90-27-7

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
2-Phenylbutyric Acid (CAS 90-27-7) — License & Provenance

Source:
2-Phenylbutyric Acid (CAS 90-27-7) — MolGod molecule record

Source data: PubChem CID 7012

STL: Download 3D model (488 KB)

SHA-256: 71ce69c96b1aa60b2e9882bec1dbd6f6cf79bdf331d447a44e324f74056648f0

Wikimedia Commons: not published yet

Source data: PubChem CID 7012

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