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Molecule
Succinic Acid Peroxide
CAS: 123-23-9 · C8H10O8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 123-23-9
- Molecular Formula
- C8H10O8
- Molecular Mass
- 234.16 g/mol
Identifiers
CAS Registry Number
123-23-9
SMILES
O=C(O)CCC(=O)OOC(=O)CCC(=O)O
InChI Key
MKTOIPPVFPJEQO-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O8/c9-5(10)1-3-7(13)15-16-8(14)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12)
Names and Synonyms
- Succinic Acid Peroxide Common Name
- Butanoic acid, 4,4′-dioxybis[4-oxo- Synonym
- Peroxide, bis(3-carboxypropionyl) Synonym
- 4,4′-Dioxybis[4-oxobutanoic acid] Synonym
- Alphozone Synonym
- Succinic acid peroxide Synonym
- Succinyl peroxide Synonym
- Disuccinoyl peroxide Synonym
- Succinoyl peroxide Synonym
- Peroxydisuccinic acid Synonym
- Disuccinic acid peroxide Synonym
- Alfozono Synonym
- Succinic monoperoxyanhydride Synonym
- Peroyl SA Synonym
- NSC 676 Synonym
- Disuccinyl peroxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 234.16 g/mol | CAS Common Chemistry |
| 234.15999999999997 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCC(=O)OOC(=O)CCC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O8/c9-5(10)1-3-7(13)15-16-8(14)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=MKTOIPPVFPJEQO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 125 °C (decomp) | CAS Common Chemistry |
| Name | Succinic acid peroxide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 127.2 Ų | RDKit |
| LogP | -0.28260000000000046 | RDKit |
| -0.2826 | RDKit | |
| Molar Refractivity | 45.923600000000015 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 234.03756728000002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 234.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10O8.