6-[(4,4-Dimethyl-3,4-Dihydro-2H-Thiochromen-6-Yl)Ethynyl]Nicotinic Acid
Properties
Property | Value |
---|---|
Formula | C19H17NO2S |
IUPAC Name | 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]pyridine-3-carboxylic acid |
Molecular Mass | 323.409 g·mol−1 |
Heat of Formation | 21.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.98 ± 1.08 D |
Volume | 381.91 Å 3 |
Surface Area | 346.04 Å 2 |
HOMO Energy | -8.39 ± 0.55 eV |
LUMO Energy | -1.47 ± eV |
Point Group Symmetry | C1 |
Synonyms |
|
CAS Number(s) |
|
InChIKey | IQIBKLWBVJPOQO-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |