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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.

External Resources

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

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