Vanadium dioxide

CAS: 12036-21-4 · O2V

2D Structure

Loading 3D structure...

CAS Registry Number

12036-21-4

SMILES

[O].[O].[V]

InChI Key

GRUMUEUJTSXQOI-UHFFFAOYSA-N

InChI

InChI=1S/2O.V

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	82.94 g/mol	CAS Common Chemistry
	82.94200000000001 g/mol	RDKit
	82.942 g/mol	RDKit
	88.988 g/mol	chempirical lib
Wikipedia Url	https://en.wikipedia.org/wiki/Vanadium(IV)_oxide	CAS Common Chemistry
Canonical SMILES	O=[V]=O	CAS Common Chemistry
InChI	InChI=1S/2O.V	CAS Common Chemistry
InChI Key	InChIKey=GRUMUEUJTSXQOI-UHFFFAOYSA-N	CAS Common Chemistry
Name	Vanadium 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	82.93378874 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 = 82.94 g/mol. Edit any field — others recompute live.

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