7-nitro-6-methylfuro[3,4-c]pyridine-3,4(1H,5H)-dione

HCID 709358

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Basic information

CAS: 89159-37-5
Standard SMILES: Cc1[nH]c(=O)c2c(c1[N+](=O)[O-])COC2=O
InChIKey: LAKPWIPRNZPABO-UHFFFAOYSA-N
Molecular formula: C8H6N2O5
Average molar mass: 210.14 g/mol
Monoisotopic mass: 210.0276713

Names & identifiers

Preferred name: 7-nitro-6-methylfuro[3,4-c]pyridine-3,4(1H,5H)-dione
IUPAC: 6-methyl-7-nitro-1,5-dihydrofuro[3,4-c]pyridine-3,4-dione

Names & synonyms

89159-37-56-methyl-7-nitrofuro[3,4-c]pyridine-3,4(1H,5H)-dioneAO-801/410772117-nitro-6-methylfuro[3,4-c]pyridine-3,4(1H,5H)-dione6-methyl-7-nitro-1,5-dihydrofuro[3,4-c]pyridine-3,4-dioneLAKPWIPRNZPABO-UHFFFAOYSA-DTXSID90351790STK770301AKOS001740445InChI=1/C8H6N2O5/c1-3-6(10(13)14)4-2-15-8(12)5(4)7(11)9-3/h2H2,1H3,(H,9,11)

Database identifiers

CAS: 89159-37-5
PubChem CID: 709358
DTXSID: DTXSID90351790

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 101 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 454

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