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Actilane 450
CAS: 29570-58-9 | C28H34O13
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
29570-58-9
Molecular Formula:
C28H34O13
Molecular Weight:
578.5670000000003 g/mol
Names and Synonyms:
Actilane 450
Dipentaerythritol Hexaacrylate
2-Propenoic acid, 1,1′-[2-[[3-[(1-oxo-2-propen-1-yl)oxy]-2,2-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]propoxy]methyl]-2-[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester
2-Propenoic acid, 2-[[3-[(1-oxo-2-propenyl)oxy]-2,2-bis[[(1-oxo-2-propenyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxo-2-propenyl)oxy]methyl]-1,3-propanediyl ester
Acrylic acid, hexaester with dipentaerythritol
Dipentaerythritol hexaacrylate
DPHA
NK Ester ADP 6
Light Acrylate DPE 6A
DPE 6A
ADP 6
Beam Set 700
Lumicure DPA 620
Aronix 450
Aronix TO 1450
Aronix M 401B
Light Acrylate DPE 6E
TO 1450
Kayarad DPS 100
NK Ester A-DPH
Miramer M 600
A-DPH
Miramer 600
Photomer 4600
A-DPA
Nopcomer 4612
Light Acrylate DPH 6A
EM 265
EM 266
Beam Set 740
NK Ester A 9570
EM 267
DPA 600T
Ebecryl DPHA
N 9550
EM 263
EM 264
M 600
Sartomer DPHA
Etermer 265
DPHA-C
DPHA-F
Laromer DPHA-Aap
Easepi 7300
AgiSyn 2830
GM 66G0C
Identifiers:
SMILES:
C=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
InChI:
InChI=1S/C28H34O13/c1-7-21(29)36-15-27(16-37-22(30)8-2,17-38-23(31)9-3)13-35-14-28(18-39-24(32)10-4,19-40-25(33)11-5)20-41-26(34)12-6/h7-12H,1-6,13-20H2
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 | 578.5670000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 578.1999411479999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 41 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 13 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 22 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 167.03 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.3510000000000009 | RDKit |
| molecular_mass | 578.57 g/mol | Legacy Database |
| cas-canonical-smile | O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C None | Legacy Database |
| cas-inchi | InChI=1S/C28H34O13/c1-7-21(29)36-15-27(16-37-22(30)8-2,17-38-23(31)9-3)13-35-14-28(18-39-24(32)10-4,19-40-25(33)11-5)20-41-26(34)12-6/h7-12H,1-6,13-20H2 None | Legacy Database |
| cas-inchi-key | InChIKey=MPIAGWXWVAHQBB-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Dipentaerythritol hexaacrylate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 142.6209999999999 | RDKit |
