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Polylactic Acid
CAS: 26100-51-6 | C3H6O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
26100-51-6
Molecular Formula:
C3H6O3
Molecular Weight:
90.07799999999999 g/mol
Names and Synonyms:
Polylactic Acid
Propanoic acid, 2-hydroxy-, homopolymer
Lactic acid, polymers
Lactic acid, polyesters
Poly(lactic acid)
Lactic acid polymer
Lactic acid homopolymer
(±)-Lactic acid homopolymer
(±)-2-Hydroxypropanoic acid homopolymer
Poly(DL-lactic acid)
Poly(dl-lactate)
(±)-Poly(lactic acid)
DL-Polylactic acid
Poly(dl-lactic acid)
DL-Lactic acid polymer
DL-Lactic acid homopolymer
Polylactic acid
NeoOrtho
D,L-polylactic acid
2-Hydroxypropanoic acid homopolymer
Polylactate
Lactates, polylactates
Polylactates
PLA
Identifiers:
SMILES:
CC(O)C(=O)O
InChI:
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 90.07799999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 90.031694052 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 57.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.5482 | RDKit |
| molecular_mass | 90.08 g/mol | Legacy Database |
| density | 1.21 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Polylactic_acid None | Legacy Database |
| cas-canonical-smile | O=C(O)C(O)C None | Legacy Database |
| cas-density | 1.21 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6) None | Legacy Database |
| cas-inchi-key | InChIKey=JVTAAEKCZFNVCJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 173 °C None | Legacy Database |
| cas-name | (±)-Poly(lactic acid) None | Legacy Database |
| wikipedia-name | Polylactic acid None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.3166 | RDKit |
