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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 Weight:
150.08599999999998 g/mol
Names and Synonyms:
Tartaric Acid
Tartaric acid
Tartaric acid (+L)
2,3-Dihydroxysuccinic acid
(+)-(2R,3R)-Tartaric acid
(2R,3R)-2,3-Dihydroxysuccinic acid
NSC 62778
Dihydroxysuccinic acid
E 334
(2R,3R)-Tartaric acid
(+)-L-Tartaric acid
(2R,3R)-(+)-Tartaric acid
(+)-(R,R)-Tartaric acid
2,3-Dihydroxybutanedioic acid
(R,R)-Tartaric acid
d-Tartaric acid
(R,R)-(+)-Tartaric acid
1,2-Dihydroxyethane-1,2-dicarboxylic acid
(+)-Tartaric acid
Threaric acid
L-(+)-Tartaric acid
L-Tartaric acid
Natural tartaric acid
d-α,β-Dihydroxysuccinic acid
Dextrotartaric acid
(2R,3R)-2,3-Dihydroxybutanedioic acid
Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-
Tartaric acid, L-(+)-
Butanedioic acid, 2,3-dihydroxy- (2R,3R)-
Identifiers:
SMILES:
O=C(O)[C@H](O)[C@@H](O)C(=O)O
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
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
Physical Properties
Property | Value | Source |
---|---|---|
molecular_mass | 150.09 g/mol | Legacy Database |
density | 1.74 g/cm³ | Legacy Database |
wikipedia_url | https://en.wikipedia.org/wiki/Tartaric_acid None | Legacy Database |
cas-boiling-point | 95-97 °C None | Legacy Database |
cas-canonical-smile | O=C(O)C(O)C(O)C(=O)O None | Legacy Database |
cas-density | 1.737 g/cm3 None | Legacy Database |
cas-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 None | Legacy Database |
cas-inchi-key | InChIKey=FEWJPZIEWOKRBE-JCYAYHJZSA-N None | Legacy Database |
cas-melting-point | 169 °C None | Legacy Database |
cas-name | (+)-Tartaric acid None | Legacy Database |
wikipedia-name | Tartaric acid None | Legacy Database |
LogP | -2.1226 | RDKit |
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 150.08599999999998 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 150.016437912 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 10 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 4 count | RDKit |
Hydrogen Bond Donors | 4 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 | 115.06000000000002 Ų | RDKit |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 27.285199999999996 | RDKit |