Back to Search
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 Weight:
118.088 g/mol
Names and Synonyms:
Succinic Acid
Butanedioic acid
Succinic acid
Amber acid
Asuccin
1,2-Ethanedicarboxylic acid
Wormwood acid
Dihydrofumaric acid
Katasuccin
1,4-Butanedioic acid
A 12084
NSC 106449
NSC 25949
Yantar-antitox
Biosuccinium SA
S 3674
Biosuccinium
Identifiers:
SMILES:
O=C(O)CCC(=O)O
InChI:
InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 118.088 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 118.02660867200001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 74.6 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.06420000000000009 | RDKit |
| cas-name | Succinic acid None | Legacy Database |
| molecular_mass | 118.09 g/mol | Legacy Database |
| density | 1.57 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Succinic_acid None | Legacy Database |
| cas-boiling-point | 235 °C None | Legacy Database |
| cas-canonical-smile | O=C(O)CCC(=O)O None | Legacy Database |
| cas-density | 1.572 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) None | Legacy Database |
| cas-inchi-key | InChIKey=KDYFGRWQOYBRFD-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 188 °C None | Legacy Database |
| wikipedia-name | Succinic acid None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.505599999999994 | RDKit |
