Basic information
- CAS
33584-66-6- Standard SMILES
O=C1NC(=O)C2(Cc3ccc([N+](=O)[O-])cc3C2)N1- InChIKey
MTLBOQSPYBYFJF-UHFFFAOYSA-N- Molecular formula
- C11H9N3O4
- Average molar mass
- 247.21 g/mol
- Monoisotopic mass
- 247.05930578
Names & identifiers
- Preferred name
- Spiro(5-nitroindane)-2,5'-hydantoin
- IUPAC
- 5-nitrospiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
- English name
- SPIRO(5-NITROINDANE)-2,5'-HYDANTOIN
- Molecular formula
- C11H9N3O4
- Molecular weight
- 247.21
Names & synonyms
SPIRO(5-NITROINDANE)-2,5'-HYDANTOIN33584-66-65-nitrospiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione6'-nitro-1',3'-dihydrospiro[imidazolidine-4,2'-indene]-2,5-dioneSCHEMBL379349MTLBOQSPYBYFJF-UHFFFAOYSA-NSTR06985MFCD05663679AKOS000278406AKOS0252124175'-nitrospiro[imidazolidine-5,2'-indane]-2,4-dione(+/-)-5'-Nitro-spiro[imidazolidine-4,2'-indane]-2,5-dione
Show more names
AKOS 272Spiro(5-nitroindane)-2,5'-hydrantoinSpiro[imidazolidine-4,2'-[2H]indene]-2,5-dione, 1',3'-dihydro-5'-nitro-
5'-Nitro-1',3'-dihydrospiro[imidazolidine-4,2'-indene]-2,5-dione
Database identifiers
- CAS
33584-66-6- PubChem CID
- 16638331
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 9.38 · 9.38±0.20(Predicted)
Chemistry & industry
Suppliers2 total
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
32 records
Compound notes
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