PMI
Summary
| Name: | (2-AMINO-2,3-DIHYDRO-1H-INDEN-2-YL)PHOSPHONIC ACID |
| Synonyms: | 2-AMINOINDAN-2-PHOSPHONIC ACID |
| Formula: | C9 H12 N O3 P |
| Formal charge: | 0 |
| Formula weight: | 213.17 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2-amino-2,3-dihydro-1H-inden-2-yl)phosphonic acid |
| OpenEye OEToolkits | 1.5.0 | (2-amino-1,3-dihydroinden-2-yl)phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)C2(N)Cc1ccccc1C2 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1(Cc2ccccc2C1)[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | NC1(Cc2ccccc2C1)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)CC(C2)(N)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)CC(C2)(N)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H12NO3P/c10-9(14(11,12)13)5-7-3-1-2-4-8(7)6-9/h1-4H,5-6,10H2,(H2,11,12,13) |
| InChIKey | InChI | 1.03 | YJFRDRWPYDVEIH-UHFFFAOYSA-N |
