Structure Database (LMSD)

Common Name
trans-4-methoxy-4'-nitrostilbene oxide
Systematic Name
Synonyms
  • trans-2-(4-methoxyphenyl)-3-(4-nitrophenyl)oxirane
LM ID
LMPK13090029
Status
Active
Exact Mass
Calculate m/z
271.084459
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
CTPLJPLKYKCNAY-GJZGRUSLSA-N
InChi (Click to copy)
InChI=1S/C15H13NO4/c1-19-13-8-4-11(5-9-13)15-14(20-15)10-2-6-12(7-3-10)16(17)18/h2-9,14-15H,1H3/t14-,15-/m0/s1
SMILES (Click to copy)
[C@@H]1(C2=CC=C(OC)C=C2)O[C@H]1C1=CC=C([N+](=O)[O-])C=C1

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 236.86
Topological Polar Surface Area 64.90
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 3.42
Molar Refractivity 72.66

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Updated at
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