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Molecule
Barium Selenite (Baseo3)
CAS: 13718-59-7 · H2BaO3Se
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13718-59-7
- Molecular Formula
- H2BaO3Se
- Molecular Mass
- 266.301 g/mol
Identifiers
CAS Registry Number
13718-59-7
SMILES
O=[Se](O)O.[Ba]
InChI Key
GTAFIQLWURWMBK-UHFFFAOYSA-N
InChI
InChI=1S/Ba.H2O3Se/c;1-4(2)3/h;(H2,1,2,3)
Names and Synonyms
- Barium Selenite (Baseo3) Common Name
- Selenious acid, barium salt (1:1) Synonym
- Selenious acid (H2SeO3), barium salt (1:1) Synonym
- Barium selenite (BaSeO3) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [Ba].O=[Se](O)O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.H2O3Se/c;1-4(2)3/h;(H2,1,2,3) | CAS Common Chemistry |
| InChI Key | InChIKey=GTAFIQLWURWMBK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Barium selenite (BaSeO3) | CAS Common Chemistry |
| Molecular Mass | 266.301 g/mol | RDKit |
| 267.822162424 g/mol | RDKit | |
| 268.316 g/mol | chempirical lib | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -1.9944000000000002 | RDKit |
| -1.9944 | RDKit | |
| Molar Refractivity | 16.632099999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 266.30 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
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MW = 266.30 g/mol. Edit any field — others recompute live.
