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Oleic Anhydride
CAS: 24909-72-6 | C36H66O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24909-72-6
Molecular Formula:
C36H66O3
Molecular Mass:
546.92 g/mol
Names and Synonyms:
Oleic Anhydride
9-Octadecenoic acid (9Z)-, 1,1′-anhydride
9-Octadecenoic acid (Z)-, anhydride
Oleic anhydride
9-Octadecenoic acid (9Z)-, anhydride
Oleic acid anhydride
Oleoyl anhydride
Identifiers:
SMILES:
CCCCCCCC/C=CCCCCCCCC(=O)OC(=O)CCCCCCC/C=CCCCCCCCC
InChI:
InChI=1S/C36H66O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-34H2,1-2H3/b19-17-,20-18-
Key Properties
Melting Point
22.2 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 546.92 g/mol | CAS Common Chemistry |
| 546.9210000000004 g/mol | RDKit | |
| 546.501195972 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C36H66O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-34H2,1-2H3/b19-17-,20-18- | CAS Common Chemistry |
| InChI Key | InChIKey=OCNZHGHKKQOQCZ-CLFAGFIQSA-N | CAS Common Chemistry |
| Melting Point | 22.2 °C | CAS Common Chemistry |
| Name | Oleic anhydride | CAS Common Chemistry |
| Heavy Atom Count | 39 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 30 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| LogP | 12.131199999999984 | RDKit |
| Molar Refractivity | 170.0029999999996 | RDKit |
