F0M
2-methoxy-4-nitrophenol
Created: | 2018-02-22 |
Last modified: | 2020-06-05 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 19 |
Chiral Atom Count | 0 |
Bond Count | 19 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 2-methoxy-4-nitrophenol |
Synonyms | 4-Nitroguaiacol |
Systematic Name (OpenEye OEToolkits) | 2-methoxy-4-nitro-phenol |
Formula | C7 H7 N O4 |
Molecular Weight | 169.135 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1c(O)ccc(c1)N(=O)=O |
SMILES | CACTVS | 3.385 | COc1cc(ccc1O)[N](=O)=O |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc(ccc1O)N(=O)=O |
Canonical SMILES | CACTVS | 3.385 | COc1cc(ccc1O)[N](=O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc(ccc1O)N(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C7H7NO4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3 |
InChIKey | InChI | 1.03 | IZLVFLOBTPURLP-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 76738 |
ChEBI | CHEBI:81050 |
CCDC/CSD | NAYQIN |