S0Y
Summary
Name: | 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid |
Formula: | C13 H10 O3 |
Formal charge: | 0 |
Formula weight: | 214.217 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C13H10O3/c1-3-11-10(7-13(14)15)9-6-8(2)4-5-12(9)16-11/h1,4-6H,7H2,2H3,(H,14,15) |
InChIKey | InChI | 1.03 | AXEQPNQJJUVTJZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2oc(C#C)c(CC(O)=O)c2c1 |
SMILES | CACTVS | 3.385 | Cc1ccc2oc(C#C)c(CC(O)=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)c(c(o2)C#C)CC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)c(c(o2)C#C)CC(=O)O |