| Formula |
C9H7NO2S |
| IUPAC Name |
2-(1,2-benzothiazol-3-yl)acetic acid |
| Molecular Mass |
193.222 g·mol−1 |
| Heat of Formation |
-178.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.60 ± 1.08 D |
| Volume |
210.44 Å 3 |
| Surface Area |
202.55 Å 2 |
| HOMO Energy |
-8.75 ± 0.55 eV |
| LUMO Energy |
2.17 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1,2-benzisothiazol-3-yl-acetic acid
- 1,2-benzisothiazole-3-acetic acid
- 2-(1,2-benzothiazol-3-yl)ethanoic acid
|
| CAS Number(s) |
|
| InChIKey |
HWLOCGLMEHUBAQ-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
O
N
|
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