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2-(Cyanomethyl)-5-Nitrobenzoic Acid
[CAS# 104825-25-4]

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Identification
Name 2-(Cyanomethyl)-5-Nitrobenzoic Acid
Synonyms 2-(cyanomethyl)-5-nitrobenzoic acid; NSC338232
Molecular Structure CAS#: 104825-25-4, 2-(Cyanomethyl)-5-Nitrobenzoic Acid
Molecular Formula C9H6N2O4
Molecular Weight 206.15
CAS Registry Number 104825-25-4
SMILES N#CCc1ccc(cc1C(=O)O)[N+]([O-])=O
InChI 1S/C9H6N2O4/c10-4-3-6-1-2-7(11(14)15)5-8(6)9(12)13/h1-2,5H,3H2,(H,12,13)
InChIKey NPFAMTRBOLBFAX-UHFFFAOYSA-N
Properties
Density 1.472g/cm3 (Cal.)
Boiling point 444.886°C at 760 mmHg (Cal.)
Flash point 222.859°C (Cal.)
Refractive index 1.62 (Cal.)
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