NO1
Summary
| Name: | 4-(hydroxymethyl)-3-methyl-1H-indole-2-carboxylic acid |
| Formula: | C11 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 205.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(hydroxymethyl)-3-methyl-1H-indole-2-carboxylic acid |
| OpenEye OEToolkits | 1.6.1 | 4-(hydroxymethyl)-3-methyl-1H-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c2c(c1c(cccc1n2)CO)C |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1c([nH]c2cccc(CO)c12)C(O)=O |
| SMILES | CACTVS | 3.352 | Cc1c([nH]c2cccc(CO)c12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | Cc1c2c(cccc2[nH]c1C(=O)O)CO |
| SMILES | OpenEye OEToolkits | 1.6.1 | Cc1c2c(cccc2[nH]c1C(=O)O)CO |
| InChI | InChI | 1.03 | InChI=1S/C11H11NO3/c1-6-9-7(5-13)3-2-4-8(9)12-10(6)11(14)15/h2-4,12-13H,5H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.03 | BSECKLZXEJBFRE-UHFFFAOYSA-N |
