| Formula |
C17H12O4 |
| IUPAC Name |
2-[(1-oxoisochromen-3-yl)methyl]benzoic acid |
| Molecular Mass |
280.275 g·mol−1 |
| Heat of Formation |
-461.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.15 ± 1.08 D |
| Volume |
319.2 Å 3 |
| Surface Area |
285.01 Å 2 |
| HOMO Energy |
-9.15 ± 0.55 eV |
| LUMO Energy |
-0.79 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[(1-ketoisochromen-3-yl)methyl]benzoic acid
- 2-[(1-oxo-3-isochromenyl)methyl]benzoic acid
- alpha-(1-oxo-1h-2-benzopyran-3-yl)-o-toluic acid
- benzoic acid, 2-((1-oxo-1h-2-benzopyran-3-yl)methyl)-
- f 1375
- o-toluic acid, alpha-(1-oxo-1h-2-benzopyran-3-yl)-
|
| CAS Number(s) |
|
| InChIKey |
GCFOLLWPQAGLCM-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
|
| |
|
