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Molecule
Tartaric Acid
CAS: 87-69-4 · C4H6O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 87-69-4
- Molecular Formula
- C4H6O6
- Molecular Mass
- 150.09 g/mol
Identifiers
CAS Registry Number
87-69-4
SMILES
O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChI Key
FEWJPZIEWOKRBE-JCYAYHJZSA-N
InChI
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1
Names and Synonyms
- Tartaric Acid Common Name
- Butanedioic acid, 2,3-dihydroxy- (2R,3R)- Synonym
- Tartaric acid, L-(+)- Synonym
- Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]- Synonym
- (2R,3R)-2,3-Dihydroxybutanedioic acid Synonym
- Dextrotartaric acid Synonym
- d-α,β-Dihydroxysuccinic acid Synonym
- Natural tartaric acid Synonym
- L-Tartaric acid Synonym
- Tartaric acid Synonym
- L-(+)-Tartaric acid Synonym
- Threaric acid Synonym
- (+)-Tartaric acid Synonym
- 1,2-Dihydroxyethane-1,2-dicarboxylic acid Synonym
- (R,R)-(+)-Tartaric acid Synonym
- d-Tartaric acid Synonym
- (R,R)-Tartaric acid Synonym
- 2,3-Dihydroxybutanedioic acid Synonym
- (+)-(R,R)-Tartaric acid Synonym
- (2R,3R)-(+)-Tartaric acid Synonym
- (+)-L-Tartaric acid Synonym
- (2R,3R)-Tartaric acid Synonym
- E 334 Synonym
- Dihydroxysuccinic acid Synonym
- NSC 62778 Synonym
- (2R,3R)-2,3-Dihydroxysuccinic acid Synonym
- (+)-(2R,3R)-Tartaric acid Synonym
- 2,3-Dihydroxysuccinic acid Synonym
- Tartaric acid (+L) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.09 g/mol | CAS Common Chemistry |
| 150.08599999999998 g/mol | RDKit | |
| 150.086 g/mol | RDKit | |
| Density | 1.74 g/cm³ | CAS Common Chemistry |
| 1.737 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tartaric_acid | CAS Common Chemistry |
| Boiling Point | 95-97 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(O)C(O)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FEWJPZIEWOKRBE-JCYAYHJZSA-N | CAS Common Chemistry |
| Melting Point | 169 °C | CAS Common Chemistry |
| Name | (+)-Tartaric acid | CAS Common Chemistry |
| Tartaric acid | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 115.06000000000002 Ų | RDKit |
| 115.06 Ų | RDKit | |
| LogP | -2.1226 | RDKit |
| Molar Refractivity | 27.285199999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 150.016437912 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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100
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40
20
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 = 150.09 g/mol; density = 1.740 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H6O6.
