ACETAMIDE, N-(4-METHOXY-3-NITROPHENYL)-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Z2EJ3R0WMA
EPA CompTox DTXSID6028020

Structure

InChI Key MYIUWCZXTNZSMN-UHFFFAOYSA-N
Smiles COc1c(cc(NC(=O)C)cc1)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O4/c1-6(12)10-7-3-4-9(15-2)8(5-7)11(13)14/h3-5H,1-2H3,(H,10,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10N2O4
Molecular Weight 210.06
AlogP 2.21
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 84.96
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 50651-39-3
NORMAN SUSDAT
FDA SRS Z2EJ3R0WMA
PubChem 95043
ChemSpider 85759.0
CONTENTS