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4-(Cyanomethyl)-3-Nitrobenzoic Acid
[CAS# 104825-24-3]

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Identification
Name 4-(Cyanomethyl)-3-Nitrobenzoic Acid
Synonyms 4-(cyanomethyl)-3-nitrobenzoic acid
Molecular Structure CAS#: 104825-24-3, 4-(Cyanomethyl)-3-Nitrobenzoic Acid
Molecular Formula C9H6N2O4
Molecular Weight 206.15
CAS Registry Number 104825-24-3
SMILES c1cc(c(cc1C(=O)O)[N+](=O)[O-])CC#N
InChI 1S/C9H6N2O4/c10-4-3-6-1-2-7(9(12)13)5-8(6)11(14)15/h1-2,5H,3H2,(H,12,13)
InChIKey HQHZVVKSBBDASG-UHFFFAOYSA-N
Properties
Density 1.472g/cm3 (Cal.)
Boiling point 424.917°C at 760 mmHg (Cal.)
Flash point 210.782°C (Cal.)
Refractive index 1.62 (Cal.)
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