1-苯基-3-甲基吡唑啉酮 (CAS 563-72-4)

1-苯基-3-甲基吡唑啉酮 (CAS 563-72-4) is a chemical compound registered under number CAS 563-72-4, with the molecular formula C₂CaO₄, and a molar mass of 128.10 g/mol.

The molecule contains 7 atoms connected by 5 chemical bonds. The full systematic IUPAC name of this compound is calcium oxalate. 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, polar surface area PSA = 80.3 Ų, 0 donors and 4 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.

Wzór sumaryczny	C₂CaO₄
Masa molowa	128.10 g/mol
IUPAC	calcium oxalate
SMILES	C(=O)(C(=O)[O-])[O-].[Ca+2]
InChIKey	QXDMQSPYEZFLGF-UHFFFAOYSA-L
logP (XLogP3)	—
PSA	80.3 Ų
HBD / HBA	0 / 4
PubChem CID	CID 33005 ↗

Sygnał: Uwaga

H302 — Działa szkodliwie po połknięciu

H312 — Działa szkodliwie w kontakcie ze skórą

CALCIUM OXALATE · 563-72-4 · Ethanedioic acid, calcium salt (1:1) · CHEBI:60579 · 2612HC57YE · Oxalate, Calcium · RefChem:573536 · Dihydrate, Calcium Oxalate · Trihydrate, Calcium Oxalate · Monohydrate, Calcium Oxalate · 209-260-1 · calcium;oxalate · Calciumoxalate · Ethanedioic acid, calcium salt · UNII-2612HC57YE

• 📊 PubChem CID 33005 — NIH
• 🔬 NIST WebBook — spektroskopia
• 💊 ChEMBL — bioaktywność

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