SQP
Summary
Name: | 2-(4-aminophenyl)benzoic acid |
Formula: | C13 H11 N O2 |
Formal charge: | 0 |
Formula weight: | 213.232 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 2-(4-aminophenyl)benzoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C13H11NO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8H,14H2,(H,15,16) |
InChIKey | InChI | 1.03 | DHTPJFVSTBGVFV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1)c2ccccc2C(O)=O |
SMILES | CACTVS | 3.385 | Nc1ccc(cc1)c2ccccc2C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)c2ccc(cc2)N)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)c2ccc(cc2)N)C(=O)O |