BZ2
Summary
Name: | 1-benzofuran-2-carboxylic acid |
Formula: | C9 H6 O3 |
Formal charge: | 0 |
Formula weight: | 162.142 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 11.02 | 1-benzofuran-2-carboxylic acid |
OpenEye OEToolkits | 1.6.1 | 1-benzofuran-2-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(O)c2oc1ccccc1c2 |
SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)c1oc2ccccc2c1 |
SMILES | CACTVS | 3.352 | OC(=O)c1oc2ccccc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)cc(o2)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)cc(o2)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11) |
InChIKey | InChI | 1.03 | OFFSPAZVIVZPHU-UHFFFAOYSA-N |