Dehydro-6-Sulfoabietic Acid
Properties
Property | Value |
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Formula | C20H28O5S |
IUPAC Name | (1r,4as,10ar)-7-isopropyl-1,4a-dimethyl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid |
Molecular Mass | 380.498 g·mol−1 |
Heat of Formation | -1044.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.11 ± 1.08 D |
Volume | 443.67 Å 3 |
Surface Area | 358.6 Å 2 |
HOMO Energy | -9.60 ± 0.55 eV |
LUMO Energy | -0.40 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | IWCWQNVIUXZOMJ-MISYRCLQSA-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 |