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Molecule
Succinic Acid
CAS: 110-15-6 · C4H6O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 110-15-6
- Molecular Formula
- C4H6O4
- Molecular Mass
- 118.09 g/mol
Identifiers
CAS Registry Number
110-15-6
SMILES
O=C(O)CCC(=O)O
InChI Key
KDYFGRWQOYBRFD-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
Names and Synonyms
- Succinic Acid Synonym
- Butanedioic acid Synonym
- Succinic acid Synonym
- Amber acid Synonym
- Asuccin Synonym
- 1,2-Ethanedicarboxylic acid Synonym
- Wormwood acid Synonym
- Dihydrofumaric acid Synonym
- Katasuccin Synonym
- 1,4-Butanedioic acid Synonym
- A 12084 Synonym
- NSC 106449 Synonym
- NSC 25949 Synonym
- Yantar-antitox Synonym
- Biosuccinium SA Synonym
- S 3674 Synonym
- Biosuccinium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.09 g/mol | CAS Common Chemistry |
| 118.088 g/mol | RDKit | |
| Density | 1.57 g/cm³ | CAS Common Chemistry |
| 1.572 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Succinic_acid | CAS Common Chemistry |
| Boiling Point | 235 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=KDYFGRWQOYBRFD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 188 °C | CAS Common Chemistry |
| Name | Succinic acid | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.6 Ų | RDKit |
| LogP | -0.06420000000000009 | RDKit |
| -0.0642 | RDKit | |
| Molar Refractivity | 24.505599999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 118.02660867200001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 118.09 g/mol; density = 1.570 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H6O4.
