Formula |
C26H31NO4 |
IUPAC Name |
1-[3-(4-octylphenoxy)-2-oxo-propyl]indol-1-ium-5-carboxylic acid |
Molecular Mass |
421.529 g·mol−1 |
Heat of Formation |
-546.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.91 ± 1.08 D |
Volume |
536.83 Å 3 |
Surface Area |
490.04 Å 2 |
HOMO Energy |
-8.85 ± 0.55 eV |
LUMO Energy |
2.51 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 1-[2-keto-3-(4-octylphenoxy)propyl]indole-5-carboxylic acid
- 1-[3-(4-octylphenoxy)-2-oxo-propyl]indole-5-carboxylic acid
- 1-[3-(4-octylphenoxy)-2-oxopropyl]-5-indolecarboxylic acid
- 1-[3-(4-octylphenoxy)-2-oxopropyl]indole-5-carboxylic acid
|
InChIKey |
QGRRJJFZKZREIR-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
N
|
|
|