Calcium Chromate

CAS: 13765-19-0 · H2CaCrO4

2D Structure

Loading 3D structure...

CAS Registry Number

13765-19-0

SMILES

[Ca].[Cr+2].[OH-].[OH-].[O].[O]

InChI Key

XBBFPHLRACEUEX-UHFFFAOYSA-L

InChI

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

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	158.09 g/mol	CAS Common Chemistry
	158.08599999999998 g/mol	RDKit
	158.086 g/mol	RDKit
	168.166 g/mol	chempirical lib
Density	2.89 g/cm³	CAS Common Chemistry
	2.89 g/cm3	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Calcium_chromate	CAS Common Chemistry
Canonical SMILES	[Ca].O=[Cr](=O)(O)O	CAS Common Chemistry
InChI	InChI=1S/Ca.Cr.2H2O.2O/h;;2*1H2;;/q;+2;;;;/p-2	CAS Common Chemistry
InChI Key	InChIKey=XBBFPHLRACEUEX-UHFFFAOYSA-L	CAS Common Chemistry
Name	Calcium chromate	CAS Common Chemistry
Heavy Atom Count	6	RDKit
Hydrogen Bond Acceptors	2	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	117.0 Å²	RDKit
LogP	-0.9744999999999999	RDKit
	-0.9745	RDKit
Molar Refractivity	10.998600000000001 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	157.89840702400002 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 = 158.09 g/mol; density = 2.890 g/mL. Edit any field — others recompute live.

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