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Nonanal
CAS: 124-19-6 | C9H18O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
124-19-6
Molecular Formula:
C9H18O
Molecular Mass:
142.24 g/mol
Names and Synonyms:
Nonanal
Nonanal
Nonanaldehyde
Nonaldehyde
Nonylic aldehyde
Pelargonaldehyde
Pelargonic aldehyde
n-Nonanal
n-Nonylaldehyde
Nonanoic aldehyde
Nonylaldehyde
Aldehyde C 9
NSC 5518
Aldehyde C 09
Identifiers:
SMILES:
CCCCCCCCC=O
InChI:
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
Key Properties
Boiling Point
191 °C
CAS Common Chemistry
Melting Point
94-95 °C
CAS Common Chemistry
Density
0.83 g/cm³
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 | 142.24 g/mol | CAS Common Chemistry |
| 142.242 g/mol | RDKit | |
| 142.135765196 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.8264 g/cm3 @ Temp: 22 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nonanal | CAS Common Chemistry |
| Boiling Point | 191 °C | CAS Common Chemistry |
| Canonical SMILES | O=CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GYHFUZHODSMOHU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 94-95 °C | CAS Common Chemistry |
| Name | Nonanal | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.935900000000001 | RDKit |
| Molar Refractivity | 44.057000000000016 | RDKit |
