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Arachidic Acid
CAS: 506-30-9 | C20H40O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
506-30-9
Molecular Formula:
C20H40O2
Molecular Mass:
312.54 g/mol
Names and Synonyms:
Arachidic Acid
Eicosanoic acid
Arachic acid
Arachidic acid
n-Eicosanoic acid
Icosanoic acid
NSC 93983
n-Eicosanic acid
C20 fatty acid
C 20
Peanut acid
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCCCC(=O)O
InChI:
InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
Key Properties
Boiling Point
328 °C
CAS Common Chemistry
Melting Point
75.4 °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 | 312.54 g/mol | CAS Common Chemistry |
| 312.53799999999995 g/mol | RDKit | |
| 312.30283052 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Arachidic_acid | CAS Common Chemistry |
| Boiling Point | 328 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22) | CAS Common Chemistry |
| InChI Key | InChIKey=VKOBVWXKNCXXDE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 75.4 °C | CAS Common Chemistry |
| Name | Eicosanoic acid | CAS Common Chemistry |
| Arachidic acid | CAS Common Chemistry | |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 7.112700000000007 | RDKit |
| Molar Refractivity | 96.41580000000009 | RDKit |
