Barium Hydroxide

CAS: 17194-00-2 · H2BaO2

2D Structure

Loading 3D structure...

CAS Registry Number

17194-00-2

SMILES

[Ba+2].[OH-].[OH-]

InChI Key

RQPZNWPYLFFXCP-UHFFFAOYSA-L

InChI

InChI=1S/Ba.2H2O/h;2*1H2/q+2;;/p-2

Comprehensive physical and chemical properties

Property	Value	Source
Density	1.03 g/cm³	CAS Common Chemistry
	1.025 g/cm3	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Barium_hydroxide	CAS Common Chemistry
Canonical SMILES	O[Ba]O	CAS Common Chemistry
InChI	InChI=1S/Ba.2H2O/h;2*1H2/q+2;;/p-2	CAS Common Chemistry
InChI Key	InChIKey=RQPZNWPYLFFXCP-UHFFFAOYSA-L	CAS Common Chemistry
Melting Point	408 °C	CAS Common Chemistry
Name	Barium hydroxide	CAS Common Chemistry
Molecular Mass	171.342 g/mol	RDKit
	171.910726504 g/mol	RDKit
	175.373 g/mol	chempirical lib
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	60.0 Å²	RDKit
LogP	-0.7343999999999999	RDKit
	-0.7344	RDKit
Molar Refractivity	9.6256 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	171.34 g/mol	CAS Common Chemistry

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 = 171.34 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.

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