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Molecule
L-Malic Acid
CAS: 97-67-6 · C4H6O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 97-67-6
- Molecular Formula
- C4H6O5
- Molecular Mass
- 134.09 g/mol
Identifiers
CAS Registry Number
97-67-6
SMILES
O=C(O)C[C@H](O)C(=O)O
InChI Key
BJEPYKJPYRNKOW-REOHCLBHSA-N
InChI
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
Names and Synonyms
- L-Malic Acid Common Name
- Butanedioic acid, 2-hydroxy-, (2S)- Synonym
- Malic acid, L- Synonym
- Butanedioic acid, hydroxy-, (S)- Synonym
- Butanedioic acid, hydroxy-, (2S)- Synonym
- Malic acid, l- Synonym
- (2S)-2-Hydroxybutanedioic acid Synonym
- Apple acid Synonym
- (-)-Hydroxysuccinic acid Synonym
- (-)-Malic acid Synonym
- L-Malic acid Synonym
- L-(-)-Malic acid Synonym
- (S)-Malic acid Synonym
- S-(-)-Malic acid Synonym
- (-)-(S)-Malic acid Synonym
- S-2-Hydroxybutanedioic acid Synonym
- (-)-L-Malic acid Synonym
- NSC 9232 Synonym
- (2S)-2-Hydroxysuccinic acid Synonym
- L-Apple acid Synonym
- (2S)-Malic acid Synonym
- (S)-2-Hydroxysuccinic acid Synonym
- (2S)-2-Hydroxysuccinic acid Synonym
- (2S)-2-Hydroxybutanedioic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.09 g/mol | CAS Common Chemistry |
| 134.087 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.025 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(O)CC(O)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BJEPYKJPYRNKOW-REOHCLBHSA-N | CAS Common Chemistry |
| Melting Point | 128.5-129.5 °C | CAS Common Chemistry |
| Name | L-Malic acid | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 94.83 Ų | RDKit |
| LogP | -1.0934000000000001 | RDKit |
| -1.0934 | RDKit | |
| Molar Refractivity | 25.895399999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 134.021523292 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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120
100
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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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Quick conversion
MW = 134.09 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H6O5.
