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Molecule
Calcium Dichromate
CAS: 14307-33-6 · H2CaCr2O7
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14307-33-6
- Molecular Formula
- H2CaCr2O7
- Molecular Mass
- 258.08 g/mol
Identifiers
CAS Registry Number
14307-33-6
SMILES
[Ca].[Cr+].[Cr+].[OH-].[OH-].[O].[O].[O].[O].[O]
InChI Key
MOTHWPZROAZQKS-UHFFFAOYSA-L
InChI
InChI=1S/Ca.2Cr.2H2O.5O/h;;;2*1H2;;;;;/q;2*+1;;;;;;;/p-2
Names and Synonyms
- Calcium Dichromate Common Name
- Chromic acid (H2Cr2O7), calcium salt (1:1) Synonym
- Dichromic acid (H2Cr2O7), calcium salt (1:1) Synonym
- Calcium dichromate Synonym
- Calcium dichromate(VI) Synonym
- Dichromic(VI) acid, calcium salt (1:1) Synonym
- Calcium dichromate (CaCr2O7) Synonym
- Calcium chromate (CaCr2O7) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_chromate | CAS Common Chemistry |
| Molecular Mass | 258.08 g/mol | CAS Common Chemistry |
| 258.079 g/mol | RDKit | |
| 276.223 g/mol | chempirical lib | |
| Canonical SMILES | [Ca].O=[Cr](=O)(O)O[Cr](=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/Ca.2Cr.2H2O.5O/h;;;2*1H2;;;;;/q;2*+1;;;;;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=MOTHWPZROAZQKS-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Calcium dichromate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 202.5 Ų | RDKit |
| LogP | -1.3334 | RDKit |
| Molar Refractivity | 13.058100000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 257.82365838400005 g/mol | RDKit |
Spectral Data
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.
External Resources
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MW = 258.08 g/mol. Edit any field — others recompute live.
