Properties
Molecular Formula
C11H7N3O3
Molecular Weight
229.19
Monoisotopic Mass
229.04874109
Polar Area
103
Complexity
402
XLogP
1.8
Heavy Atom Count
17
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
PubChem LCSS
2-[(4-Methoxy-3-nitrophenyl)methylidene]propanedinitrile Laboratory Chemical Safety Summary
Identifiers
CID
794590
InChI
InChI=1S/C11H7N3O3/c1-17-11-3-2-8(4-9(6-12)7-13)5-10(11)14(15)16/h2-5H,1H3
InChIKey
GHFTUVLCBQAPPO-UHFFFAOYSA-N
Isometric SMILES
COC1=C(C=C(C=C1)C=C(C#N)C#N)[N+](=O)[O-]
Canonical SMILES
COC1=C(C=C(C=C1)C=C(C#N)C#N)[N+](=O)[O-]
IUPAC Name
2-[(4-methoxy-3-nitrophenyl)methylidene]propanedinitrile





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