JLM
Summary
Name: | 3-methyl-1-benzofuran-2-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 | 3-methyl-1-benzofuran-2-carboxylic acid |
OpenEye OEToolkits | 2.0.6 | 3-methyl-1-benzofuran-2-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c12c(C)c(C(O)=O)oc1cccc2 |
InChI | InChI | 1.03 | InChI=1S/C10H8O3/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3,(H,11,12) |
InChIKey | InChI | 1.03 | YMZTUCZCQMQFMK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(oc2ccccc12)C(O)=O |
SMILES | CACTVS | 3.385 | Cc1c(oc2ccccc12)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c2ccccc2oc1C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c2ccccc2oc1C(=O)O |