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Molecule
(T-4)-Bis(2,4-Pentanedionato-Κo2,Κo4)Beryllium
CAS: 10210-64-7 · C10H14BeO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10210-64-7
- Molecular Formula
- C10H14BeO4
- Molecular Mass
- 207.23 g/mol
Identifiers
CAS Registry Number
10210-64-7
SMILES
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[Be+2]
InChI Key
ZRUGOXOPSZNKCB-UHFFFAOYSA-N
InChI
InChI=1S/2C5H7O2.Be/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2
Names and Synonyms
- (T-4)-Bis(2,4-Pentanedionato-Κo2,Κo4)Beryllium Synonym
- Beryllium, bis(2,4-pentanedionato-κO2,κO4)-, (T-4)- Synonym
- Beryllium, bis(2,4-pentanedionato)- Synonym
- Beryllium, bis(2,4-pentanedionato-O,O′)-, (T-4)- Synonym
- Beryllium, bis(2,4-pentanedionato-κO,κO′)-, (T-4)- Synonym
- (T-4)-Bis(2,4-pentanedionato-κO2,κO4)beryllium Synonym
- Beryllium acetylacetonate Synonym
- Beryllium bis(acetylacetonate) Synonym
- Beryllium diacetylacetonate Synonym
- Bis(acetylacetonato)beryllium Synonym
- Bis(2,4-pentanedionato)beryllium Synonym
- Bis(2,4-pentanedionato-O,O′)beryllium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 207.23 g/mol | CAS Common Chemistry |
| 211.262 g/mol | chempirical lib | |
| Canonical SMILES | O1=C([CH-]C(=O[Be+2]12O=C([CH-]C(=O2)C)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/2C5H7O2.Be/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZRUGOXOPSZNKCB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (T-4)-Bis(2,4-pentanedionato-κO2,κO4)beryllium | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 68.28 Ų | RDKit |
| LogP | 0.3565799999999999 | RDKit |
| 0.3566 | RDKit | |
| Molar Refractivity | 57.078000000000024 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 207.10139112800002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 207.23 g/mol. Edit any field — others recompute live.
