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Molecule
Barium Chromate
CAS: 10294-40-3 · H2BaCrO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10294-40-3
- Molecular Formula
- H2BaCrO4
- Molecular Mass
- 255.34 g/mol
Identifiers
CAS Registry Number
10294-40-3
SMILES
[Ba].[Cr+2].[OH-].[OH-].[O].[O]
InChI Key
DCYCMHFULVQWRF-UHFFFAOYSA-L
InChI
InChI=1S/Ba.Cr.2H2O.2O/h;;2*1H2;;/q;+2;;;;/p-2
Names and Synonyms
- Barium Chromate Synonym
- Chromic acid (H2CrO4), barium salt (1:1) Synonym
- Barium chromate(VI) Synonym
- C.I. 77103 Synonym
- Barium chromate Synonym
- Baryta yellow Synonym
- C.I. Pigment Yellow 31 Synonym
- Lemon chrome Synonym
- Ultramarine yellow Synonym
- Barium chromate (1:1) Synonym
- Lemon Yellow (inorganic pigment) Synonym
- Barium chromate (BaCrO4) Synonym
- Permanent yellow Synonym
- Lemon Yellow Synonym
- Pigment Yellow 31 Synonym
- Barium chromium oxide (BaCrO4) Synonym
- Barium yellow Synonym
- OP 206 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 255.34 g/mol | CAS Common Chemistry |
| 255.841063244 g/mol | RDKit | |
| 255.336 g/mol | RDKit | |
| 265.415 g/mol | chempirical lib | |
| Density | 4.50 g/cm³ | CAS Common Chemistry |
| 4.50 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Barium_chromate | CAS Common Chemistry |
| Canonical SMILES | [Ba].O=[Cr](=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.Cr.2H2O.2O/h;;2*1H2;;/q;+2;;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=DCYCMHFULVQWRF-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Barium 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 |
| -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 | 255.336 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 255.34 g/mol; density = 4.500 g/mL. Edit any field — others recompute live.
