Back to Search
Undecylenic Acid
CAS: 112-38-9 | C11H20O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-38-9
Molecular Formula:
C11H20O2
Molecular Mass:
184.28 g/mol
Names and Synonyms:
Undecylenic Acid
10-Undecenoic acid
Declid
10-Hendecenoic acid
ω-Hendecenoic acid
Renselin
Sevinon
10-Undecylenic acid
Undecylenic acid
Desenex solution
ω-Undecenoic acid
NSC 2013
Identifiers:
SMILES:
C=CCCCCCCCCC(=O)O
InChI:
InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
Key Properties
Boiling Point
275 °C
CAS Common Chemistry
Melting Point
24.5 °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 | 184.28 g/mol | CAS Common Chemistry |
| 184.279 g/mol | RDKit | |
| 184.14632988 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Undecylenic_acid | CAS Common Chemistry |
| Boiling Point | 275 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCCCCCCCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=FRPZMMHWLSIFAZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 24.5 °C | CAS Common Chemistry |
| Name | Undecylenic acid | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 3.3778000000000015 | RDKit |
| Molar Refractivity | 54.76880000000004 | RDKit |
