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Tartronic Acid
CAS: 80-69-3 | C3H4O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
80-69-3
Molecular Formula:
C3H4O5
Molecular Mass:
120.06 g/mol
Names and Synonyms:
Tartronic Acid
Propanedioic acid, 2-hydroxy-
Tartronic acid
Propanedioic acid, hydroxy-
2-Hydroxypropanedioic acid
Hydroxymalonic acid
α-Hydroxymalonic acid
Hydroxypropanedioic acid
NSC 36171
2-Hydroxymalonic acid
Identifiers:
SMILES:
O=C(O)C(O)C(=O)O
InChI:
InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)
Key Properties
Melting Point
157 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 120.06 g/mol | CAS Common Chemistry |
| 120.05999999999999 g/mol | RDKit | |
| 120.005873228 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tartronic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(O)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=ROBFUDYVXSDBQM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 157 °C | CAS Common Chemistry |
| Name | Tartronic acid | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 94.83 Ų | RDKit |
| LogP | -1.4835 | RDKit |
| Molar Refractivity | 21.278399999999998 | RDKit |
