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Molecule
Propagermanium
CAS: 12758-40-6 · C6H10Ge2O7
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12758-40-6
- Molecular Formula
- C6H10Ge2O7
- Molecular Mass
- 339.36 g/mol
Identifiers
CAS Registry Number
12758-40-6
SMILES
O=C(O)CC[Ge](=O)O[Ge](=O)CCC(=O)O
InChI Key
XEABSBMNTNXEJM-UHFFFAOYSA-N
InChI
InChI=1S/C6H10Ge2O7/c9-5(10)1-3-7(13)15-8(14)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12)
Names and Synonyms
- Propagermanium Synonym
- Propanoic acid, 3,3′-(1,3-dioxo-1,3-digermoxanediyl)bis- Synonym
- 3,3′-(1,3-Dioxo-1,3-digermoxanediyl)bis[propanoic acid] Synonym
- Carboxyethylgermanium sesquioxide Synonym
- 2-(Carboxyethyl)germanium sesquioxide Synonym
- Ge 132 Synonym
- SK 818 Synonym
- Proxigermanium Synonym
- β-Carboxyethylgermanium sesquioxide Synonym
- Arlamol GEO Synonym
- Rapagermanium Synonym
- Serocion Synonym
- Repagermanium Synonym
- NSC 267004 Synonym
- 3-[[2-Carboxyethyl(oxo)germyl]oxy-oxogermyl]propanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 339.36 g/mol | CAS Common Chemistry |
| 339.35900000000015 g/mol | RDKit | |
| 341.88500825999995 g/mol | RDKit | |
| 339.399 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propagermanium | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CC[Ge](=O)O[Ge](=O)CCC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C6H10Ge2O7/c9-5(10)1-3-7(13)15-8(14)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=XEABSBMNTNXEJM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 270 °C (decomp) | CAS Common Chemistry |
| Name | Carboxyethylgermanium sesquioxide | CAS Common Chemistry |
| Propagermanium | CAS Common Chemistry | |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 117.96999999999998 Ų | RDKit |
| 117.97 Ų | RDKit | |
| LogP | -0.21020000000000044 | RDKit |
| -0.2102 | RDKit | |
| Molar Refractivity | 48.085600000000014 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 339.359 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 |
|---|
200 ppm
180
160
140
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100
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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 = 339.36 g/mol. Edit any field — others recompute live.
