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Home >> Chemical Listing >> Page 227 >> Methyl trans-1,3-Dinitrocyclobutanecarboxylate

Methyl trans-1,3-Dinitrocyclobutanecarboxylate
[CAS# 120525-82-8]

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Identification
Name Methyl trans-1,3-Dinitrocyclobutanecarboxylate
Synonyms (1r,3r)-methyl 1,3-dinitrocyclobutanecarboxylate
Molecular Structure CAS#: 120525-82-8, Methyl trans-1,3-Dinitrocyclobutanecarboxylate
Molecular Formula C6H8N2O6
Molecular Weight 204.14
CAS Registry Number 120525-82-8
SMILES COC(=O)[C@]1(C[C@H](C1)[N+](=O)[O-])[N+](=O)[O-]
InChI 1S/C6H8N2O6/c1-14-5(9)6(8(12)13)2-4(3-6)7(10)11/h4H,2-3H2,1H3/t4-,6-
InChIKey SHJMEQUARYOZBR-DTXYKFKXSA-N
Properties
Density 1.5±0.1g/cm3 (Cal.)
Boiling point 337.3±42.0°C at 760 mmHg (Cal.)
Flash point 171.2±29.9°C (Cal.)
Refractive index 1.513 (Cal.)
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