Nitrogen Dioxide

CAS: 10102-44-0 · NO2

2D Structure

Loading 3D structure...

CAS Registry Number

10102-44-0

SMILES

[O]N=O

InChI Key

JCXJVPUVTGWSNB-UHFFFAOYSA-N

InChI

InChI=1S/NO2/c2-1-3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	46.01 g/mol	CAS Common Chemistry
	46.005 g/mol	RDKit
	47.013 g/mol	chempirical lib
Density	1.45 g/cm³	CAS Common Chemistry
	1.45 g/cm3	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Nitrogen_dioxide	CAS Common Chemistry
Boiling Point	21.15 °C	CAS Common Chemistry
Canonical SMILES	[O]N=O	CAS Common Chemistry
InChI	InChI=1S/NO2/c2-1-3	CAS Common Chemistry
InChI Key	InChIKey=JCXJVPUVTGWSNB-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	-9.3 °C	CAS Common Chemistry
Name	Nitrogen dioxide	CAS Common Chemistry
Heavy Atom Count	3	RDKit
Hydrogen Bond Acceptors	2	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	49.33 Å²	RDKit
	49.66 Å²	chempirical lib
LogP	0.09830000000000001	RDKit
	0.0983	RDKit
Molar Refractivity	6.4815000000000005 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	45.992903240000004 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 = 46.01 g/mol; density = 1.450 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)