8-Methyl-8-nitro-6,10-dioxaspiro[4.5]decane

HCID 221972

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Basic information

CAS: 6282-90-2
Standard SMILES: CC1([N+](=O)[O-])COC2(CCCC2)OC1
InChIKey: IUTLIUPPLQVAMX-UHFFFAOYSA-N
Molecular formula: C9H15NO4
Average molar mass: 201.22 g/mol
Monoisotopic mass: 201.10010796

Names & identifiers

Preferred name: 8-Methyl-8-nitro-6,10-dioxaspiro[4.5]decane
IUPAC: 8-methyl-8-nitro-6,10-dioxaspiro[4.5]decane

Names & synonyms

8-methyl-8-nitro-6,10-dioxaspiro[4.5]decane6282-90-28-Methyl-8-nitro-6,10-dioxaspiro(4.5)decaneNSC7108DTXSID00278383NSC 7108NSC-7108AKOS024286778ST096319

Database identifiers

CAS: 6282-90-2
PubChem CID: 221972
DTXSID: DTXSID00278383

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 64.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 232

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