0HN
Summary
Name: | 1,3-benzodioxole-5-carboxylic acid |
Synonyms: | benzo[d][1,3]dioxole-5-carboxylic acid |
Formula: | C8 H6 O4 |
Formal charge: | 0 |
Formula weight: | 166.131 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1,3-benzodioxole-5-carboxylic acid |
OpenEye OEToolkits | 1.7.6 | 1,3-benzodioxole-5-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1ccc2OCOc2c1 |
InChI | InChI | 1.03 | InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10) |
InChIKey | InChI | 1.03 | VDVJGIYXDVPQLP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccc2OCOc2c1 |
SMILES | CACTVS | 3.370 | OC(=O)c1ccc2OCOc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1C(=O)O)OCO2 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1C(=O)O)OCO2 |