Basic information
- CAS
62391-01-9- Standard SMILES
O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc([N+](=O)[O-])s1- InChIKey
LHOBNVRNEMCLDJ-UHFFFAOYSA-N- Molecular formula
- C13H11NO6S
- Average molar mass
- 309.3 g/mol
- Monoisotopic mass
- 309.03070824
Names & identifiers
- Preferred name
- 8-[(5-Nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione
- IUPAC
- 8-[(5-nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione
Names & synonyms
62391-01-9NSC2970948-[(5-nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dioneDTXSID60315743AKOS024411904NSC-297094
Database identifiers
- CAS
62391-01-9- PubChem CID
- 326211
- DTXSID
DTXSID60315743
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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