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Molecule
Poly[(+)-Lactic Acid]
CAS: 106989-11-1 · C3H6O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 106989-11-1
- Molecular Formula
- C3H6O3
- Molecular Mass
- 90.08 g/mol
Identifiers
CAS Registry Number
106989-11-1
SMILES
C[C@@H](O)C(=O)O
InChI Key
JVTAAEKCZFNVCJ-UWTATZPHSA-N
InChI
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1
Names and Synonyms
- Poly[(+)-Lactic Acid] Synonym
- Propanoic acid, 2-hydroxy-, (2R)-, homopolymer Synonym
- Propanoic acid, 2-hydroxy-, (R)-, homopolymer Synonym
- Poly[(+)-lactic acid] Synonym
- D-Lactic acid polymer Synonym
- D-Lactic acid homopolymer Synonym
- Poly-D-lactic acid Synonym
- (R)-Lactic acid homopolymer Synonym
- Poly(D-lactic acid) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 90.08 g/mol | CAS Common Chemistry |
| 90.07799999999999 g/mol | RDKit | |
| 90.078 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=JVTAAEKCZFNVCJ-UWTATZPHSA-N | CAS Common Chemistry |
| Melting Point | 154 °C | CAS Common Chemistry |
| Name | Poly[(+)-lactic acid] | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -0.5482 | RDKit |
| Molar Refractivity | 19.3166 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 90.031694052 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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
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MW = 90.08 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H6O3.
