| Formula |
C13H16O4 |
| IUPAC Name |
1,3-benzodioxol-5-ylmethyl 3-methylbutanoate |
| Molecular Mass |
236.264 g·mol−1 |
| Heat of Formation |
-616.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.28 ± 1.08 D |
| Volume |
289.0 Å 3 |
| Surface Area |
265.69 Å 2 |
| HOMO Energy |
-8.95 ± 0.55 eV |
| LUMO Energy |
-0.23 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1,3-benzodioxol-5-ylmethyl isovalerate
- 3-methylbutanoic acid 1,3-benzodioxol-5-ylmethyl ester
- 3-methylbutyric acid 1,3-benzodioxol-5-ylmethyl ester
|
| CAS Number(s) |
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| InChIKey |
HETOAXKLYRCONC-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
|
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