2,2-DINITROPROPYL METHACRYLATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UWX35CPH8L
EPA CompTox DTXSID0066290

Structure

InChI Key QTIMQTTZBLVHIH-UHFFFAOYSA-N
Smiles CC(=C)C(=O)OCC(C)([N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H10N2O6/c1-5(2)6(10)15-4-7(3,8(11)12)9(13)14/h1,4H2,2-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10N2O6
Molecular Weight 218.05
AlogP 0.38
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 112.58
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 17977-13-8
NORMAN SUSDAT
FDA SRS UWX35CPH8L
PubChem 87386
ChemSpider 78824.0
CONTENTS