![Chemical structure of 2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}acetic acid, CAS 950114-53-1](https://api.angenesci.com/structure/2275/950114-53-1.png)
| CAS Number | 950114-53-1 |
| Catalog Number | AG019L2F(AGN-PC-0WO25Y) |
| Chemical Name | 2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}acetic acid |
| IUPAC Name | 2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetic acid |
| InChI | InChI=1S/C9H13N3O3/c13-8(14)6-12-9(15)11-5-3-1-2-4-7(11)10-12/h1-6H2,(H,13,14) |
| InChI Key | MJUSVNLNPPZGSP-UHFFFAOYSA-N |
| MDL Number | MFCD09802178 |
| Molecular Formula | C9H13N3O3 |
| Molecular Weight | 211.2178 |
| SMILES | OC(CN1C(=O)N2C(CCCCC2)=N1)=O |
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