EXB
Summary
Name: | 3-(1H-benzimidazol-1-yl)propanoic acid |
Formula: | C10 H10 N2 O2 |
Formal charge: | 0 |
Formula weight: | 190.199 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 3-(1H-benzimidazol-1-yl)propanoic acid |
OpenEye OEToolkits | 1.5.0 | 3-(benzimidazol-1-yl)propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CCn1c2ccccc2nc1 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCn1cnc2ccccc12 |
SMILES | CACTVS | 3.341 | OC(=O)CCn1cnc2ccccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)ncn2CCC(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)ncn2CCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C10H10N2O2/c13-10(14)5-6-12-7-11-8-3-1-2-4-9(8)12/h1-4,7H,5-6H2,(H,13,14) |
InChIKey | InChI | 1.03 | XKGRXBQGCQJOHQ-UHFFFAOYSA-N |