PJ7
4-aminofuran-2-carboxylic acid
Created: | 2010-10-20 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 14 |
Chiral Atom Count | 0 |
Bond Count | 14 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
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Name | 4-aminofuran-2-carboxylic acid |
Systematic Name (OpenEye OEToolkits) | 4-azanylfuran-2-carboxylic acid |
Formula | C5 H5 N O3 |
Molecular Weight | 127.098 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1occ(N)c1 |
SMILES | CACTVS | 3.370 | Nc1coc(c1)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1c(coc1C(=O)O)N |
Canonical SMILES | CACTVS | 3.370 | Nc1coc(c1)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | c1c(coc1C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C5H5NO3/c6-3-1-4(5(7)8)9-2-3/h1-2H,6H2,(H,7,8) |
InChIKey | InChI | 1.03 | JZMYAVSMLZDPMH-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 49766636 |