HID
Summary
Name: | (5-hydroxy-1H-indol-3-yl)acetic acid |
Synonyms: | 5-hydroxy-indole acetate |
Formula: | C10 H9 N O3 |
Formal charge: | 0 |
Formula weight: | 191.183 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.6.1 | 2-(5-hydroxy-1H-indol-3-yl)ethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)Cc1c[nH]c2ccc(O)cc12 |
SMILES | CACTVS | 3.352 | OC(=O)Cc1c[nH]c2ccc(O)cc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1O)c(c[nH]2)CC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1O)c(c[nH]2)CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) |
InChIKey | InChI | 1.03 | DUUGKQCEGZLZNO-UHFFFAOYSA-N |