NVU
Summary
| Name: | 2-(1,2-benzoxazol-3-yl)ethanoic acid |
| Formula: | C9 H7 N O3 |
| Formal charge: | 0 |
| Formula weight: | 177.157 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,2-benzoxazol-3-ylacetic acid |
| OpenEye OEToolkits | 1.9.2 | 2-(1,2-benzoxazol-3-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)Cc2noc1ccccc12 |
| InChI | InChI | 1.03 | InChI=1S/C9H7NO3/c11-9(12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H,11,12) |
| InChIKey | InChI | 1.03 | BVSIAYQIMUUCRW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1noc2ccccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1noc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)c(no2)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)c(no2)CC(=O)O |
