Formula |
C19H18O6 |
IUPAC Name |
(2s,3s)-2-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-butanedioic acid |
Molecular Mass |
342.343 g·mol−1 |
Heat of Formation |
-887.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.11 ± 1.08 D |
Volume |
395.74 Å 3 |
Surface Area |
337.9 Å 2 |
HOMO Energy |
-8.95 ± 0.55 eV |
LUMO Energy |
2.82 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (2s,3s)-2-(1,3-benzodioxol-5-ylmethyl)-3-(benzyl)succinic acid
- (2s,3s)-2-(1,3-benzodioxol-5-ylmethyl)-3-(phenylmethyl)butanedioic acid
- 2-benzo[1,3]dioxol-5-ylmethyl-3-benzyl-succinic acid
- bys
|
InChIKey |
ASEJDWRSZYAIOT-GJZGRUSLSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
|
|
|