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Molecule
Oxalic Acid
CAS: 144-62-7 · C2H2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 144-62-7
- Molecular Formula
- C2H2O4
- Molecular Mass
- 90.03 g/mol
Identifiers
CAS Registry Number
144-62-7
SMILES
O=C(O)C(=O)O
InChI Key
MUBZPKHOEPUJKR-UHFFFAOYSA-N
InChI
InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
Names and Synonyms
- Oxalic Acid Common Name
- Ethanedioic acid Synonym
- Oxalic acid Synonym
- Aktisal Synonym
- Aquisal Synonym
- NSC 132055 Synonym
- NSC 151956 Synonym
- NSC 62774 Synonym
- NSC 76990 Synonym
- Ultraplast Activate S 52 Synonym
- DeerClean Synonym
- Ethanedioic acid, conjugate acid (1:2) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 90.03 g/mol | CAS Common Chemistry |
| 90.03399999999999 g/mol | RDKit | |
| 90.034 g/mol | RDKit | |
| Density | 1.90 g/cm³ | CAS Common Chemistry |
| 1.9 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Oxalic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=MUBZPKHOEPUJKR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 189.5 °C (decomp) | CAS Common Chemistry |
| Name | Oxalic acid | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.6 Ų | RDKit |
| LogP | -0.8443999999999998 | RDKit |
| -0.8444 | RDKit | |
| Molar Refractivity | 15.2716 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 89.995308544 g/mol | RDKit |
| Boiling Point | 200 °C @ 0.1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 90.03 g/mol; density = 1.900 g/mL. Edit any field — others recompute live.
