QRM
Summary
| Name: | 3-aminocyclohexa-1,3-diene-1-carboxylic acid |
| Formula: | C7 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 139.152 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-aminocyclohexa-1,3-diene-1-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 3-azanylcyclohexa-1,3-diene-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)(O)C=1CCC=C(C=1)N |
| InChI | InChI | 1.03 | InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h3-4H,1-2,8H2,(H,9,10) |
| InChIKey | InChI | 1.03 | CMKSBGMWHUXBKM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=CCCC(=C1)C(O)=O |
| SMILES | CACTVS | 3.385 | NC1=CCCC(=C1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CC(=CC(=C1)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(=CC(=C1)N)C(=O)O |
