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2-Hydroxytetradecanoic Acid
CAS: 2507-55-3 | C14H28O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2507-55-3
Molecular Formula:
C14H28O3
Molecular Mass:
244.37 g/mol
Names and Synonyms:
2-Hydroxytetradecanoic Acid
Tetradecanoic acid, 2-hydroxy-
2-Hydroxytetradecanoic acid
α-Hydroxymyristic acid
2-Hydroxymyristic acid
α-Hydroxytetradecanoic acid
(±)-α-Hydroxymyristic acid
DL-2-Hydroxymyristic acid
DL-2-Hydroxytetradecanoic acid
(±)-2-Hydroxytetradecanoic acid
NSC 18938
Identifiers:
SMILES:
CCCCCCCCCCCCC(O)C(=O)O
InChI:
InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
Key Properties
Melting Point
88.2 °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 | 244.37 g/mol | CAS Common Chemistry |
| 244.37499999999997 g/mol | RDKit | |
| 244.203844756 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(O)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13,15H,2-12H2,1H3,(H,16,17) | CAS Common Chemistry |
| InChI Key | InChIKey=JYZJYKOZGGEXSX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 88.2 °C | CAS Common Chemistry |
| Name | 2-Hydroxytetradecanoic acid | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 3.742900000000002 | RDKit |
| Molar Refractivity | 70.10360000000006 | RDKit |
