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Tricosylic Acid
CAS: 2433-96-7 | C23H46O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2433-96-7
Molecular Formula:
C23H46O2
Molecular Mass:
354.62 g/mol
Names and Synonyms:
Tricosylic Acid
Tricosanoic acid
n-Tricosanoic acid
22FA
Tricosylic acid
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI:
InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)
Key Properties
Melting Point
80-81 °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 | 354.62 g/mol | CAS Common Chemistry |
| 354.6190000000001 g/mol | RDKit | |
| 354.3497807119999 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tricosylic_acid | CAS Common Chemistry |
| Name | Tricosanoic acid | CAS Common Chemistry |
| Tricosylic acid | CAS Common Chemistry | |
| Canonical SMILES | O=C(O)CCCCCCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25) | CAS Common Chemistry |
| InChI Key | InChIKey=XEZVDURJDFGERA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 80-81 °C | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 21 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 8.283000000000008 | RDKit |
| Molar Refractivity | 110.2668000000001 | RDKit |
