F0M

2-methoxy-4-nitrophenol

Created: 2018-02-22
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count0
Bond Count19
Aromatic Bond Count6
2D diagram of F0M

Chemical Component Summary

Name2-methoxy-4-nitrophenol
Synonyms4-Nitroguaiacol
Systematic Name (OpenEye OEToolkits)2-methoxy-4-nitro-phenol
FormulaC7 H7 N O4
Molecular Weight169.135
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01COc1c(O)ccc(c1)N(=O)=O
SMILESCACTVS3.385COc1cc(ccc1O)[N](=O)=O
SMILESOpenEye OEToolkits2.0.6COc1cc(ccc1O)N(=O)=O
Canonical SMILESCACTVS3.385 COc1cc(ccc1O)[N](=O)=O
Canonical SMILESOpenEye OEToolkits2.0.6 COc1cc(ccc1O)N(=O)=O
InChIInChI1.03 InChI=1S/C7H7NO4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3
InChIKeyInChI1.03 IZLVFLOBTPURLP-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 76738
ChEBI CHEBI:81050
CCDC/CSD NAYQIN