4-Methoxy-2-nitrobenzoic acid

CAS 33844-21-2  ·  C8H7NO5  ·  MW 197.14 g/mol

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3D model 4-Methoxy-2-nitrobenzoic acid, CAS 33844-21-2, molecular formula C8H7NO5, molar mass 197.14 g/mol
About 4-Methoxy-2-nitrobenzoic acid

4-Methoxy-2-nitrobenzoic acid is a chemical compound registered under number CAS 33844-21-2, with the molecular formula C8H7NO5, and a molar mass of 197.14 g/mol.

The molecule contains 21 atoms connected by 21 chemical bonds. The full systematic IUPAC name of this compound is 4-methoxy-2-nitrobenzoic 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 = 1.4 (positive value, a lipophilic compound), polar surface area PSA = 92.4 Ų, 1 donors and 5 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 formulaC8H7NO5
Masa molowa197.14 g/mol
IUPAC4-methoxy-2-nitrobenzoic acid
SMILESCOC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]
InChIKeyDVZBWONCSHFMMM-UHFFFAOYSA-N
logP (XLogP3)1.4
PSA92.4 Ų
HBD / HBA1 / 5
PubChem CIDCID 288657 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

H312 — Działa szkodliwie w kontakcie ze skórą

H332 — Działa szkodliwie w następstwie wdychania

Scientific literature

Related literature

1 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

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

Synonyms
4-Methoxy-2-nitrobenzoic acid · 33844-21-2 · RefChem:99580 · DTXCID40253412 · 627-668-1 · 2-Nitro-4-methoxybenzoic acid · Benzoic acid, 4-methoxy-2-nitro- · 4-Methoxy-2-nitro-benzoic acid · 2-Nitro-p-anisic acid · MFCD04972109 · 2-Nitro-4-methoxybenzoicacid · 2-Nitroanisic acid · nitro anisic acid · SCHEMBL147187 · DVZBWONCSHFMMM-UHFFFAOYSA-N
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
4-Methoxy-2-nitrobenzoic acid — CAS 33844-21-2

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

MolGod License & Provenance Record:
4-Methoxy-2-nitrobenzoic acid (CAS 33844-21-2) — License & Provenance

Source:
4-Methoxy-2-nitrobenzoic acid (CAS 33844-21-2) — MolGod molecule record

Source data: PubChem CID 288657

STL: Download 3D model (427 KB)

SHA-256: 447c11b9f71982faae2bd5497b59c13ec7dbbfaf6fbaec37c4153ac74d5e37fd

Wikimedia Commons: not published yet

Source data: PubChem CID 288657

This licence applies to the MolGod-created STL mesh, not automatically to third-party source material.