W55
Summary
| Name: | 2H-1-benzopyran-3-carboxylic acid |
| Formula: | C10 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 176.169 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2H-1-benzopyran-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 2~{H}-chromene-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1=Cc2ccccc2OC1 |
| InChI | InChI | 1.06 | InChI=1S/C10H8O3/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H,11,12) |
| InChIKey | InChI | 1.06 | DEBZQUFVQZPPLC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=Cc2ccccc2OC1 |
| SMILES | CACTVS | 3.385 | OC(=O)C1=Cc2ccccc2OC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C=C(CO2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C=C(CO2)C(=O)O |
