MAZ
FORMIC ACID 3-AMINO-BENZYL ESTER
| Created: | 2001-09-21 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 21 |
| Chiral Atom Count | 0 |
| Bond Count | 21 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | FORMIC ACID 3-AMINO-BENZYL ESTER |
| Synonyms | META-AMINO BENZYLOCARBONYL |
| Systematic Name (OpenEye OEToolkits) | (3-aminophenyl)methyl hydrogen carbonate |
| Formula | C8 H9 N O3 |
| Molecular Weight | 167.162 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=COCc1cc(N)ccc1 |
| SMILES | CACTVS | 3.385 | Nc1cccc(COC(O)=O)c1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)N)COC(=O)O |
| Canonical SMILES | CACTVS | 3.385 | Nc1cccc(COC(O)=O)c1 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)N)COC(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C8H9NO3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5,9H2,(H,10,11) |
| InChIKey | InChI | 1.06 | CWAAZOLITXUAMV-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 140018722 |














