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Calcium Chromate
CAS: 13765-19-0 | H2CaCrO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13765-19-0
Molecular Formula:
H2CaCrO4
Molecular Mass:
158.09 g/mol
Names and Synonyms:
Calcium Chromate
Chromic acid (H2CrO4), calcium salt (1:1)
Calcium chromate(VI) (CaCrO4)
Calcium chromate
Calcium chromium oxide (CaCrO4)
Calcium chromate (CaCrO4)
Calcium chrome yellow
Gelbin
Yellow ultramarine
Calcium monochromate
Identifiers:
SMILES:
[Ca].[Cr+2].[OH-].[OH-].[O].[O]
InChI:
InChI=1S/Ca.Cr.2H2O.2O/h;;2*1H2;;/q;+2;;;;/p-2
Key Properties
Density
2.89 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.09 g/mol | CAS Common Chemistry |
| 158.08599999999998 g/mol | RDKit | |
| 157.89840702400002 g/mol | RDKit | |
| 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 Ų | RDKit |
| LogP | -0.9744999999999999 | RDKit |
| Molar Refractivity | 10.998600000000001 | RDKit |
