Adams' Catalyst

CAS: 1314-15-4 · O2Pt

2D Structure

Loading 3D structure...

CAS Registry Number

1314-15-4

SMILES

[O].[O].[Pt]

InChI Key

YKIOKAURTKXMSB-UHFFFAOYSA-N

InChI

InChI=1S/2O.Pt

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	227.08 g/mol	CAS Common Chemistry
	227.076 g/mol	RDKit
	233.13 g/mol	chempirical lib
Wikipedia Url	https://en.wikipedia.org/wiki/Adams%27_catalyst	CAS Common Chemistry
Canonical SMILES	O=[Pt]=O	CAS Common Chemistry
InChI	InChI=1S/2O.Pt	CAS Common Chemistry
InChI Key	InChIKey=YKIOKAURTKXMSB-UHFFFAOYSA-N	CAS Common Chemistry
Name	Platinum dioxide	CAS Common Chemistry
Heavy Atom Count	3	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	57.0 Å²	RDKit
LogP	-0.2401	RDKit
Molar Refractivity	1.373 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	226.95462034000002 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 227.08 g/mol. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol)