| CAS Number | 635728-10-8 |
| Catalog Number | AG00IB8K(AGN-PC-0OE9U6) |
| Chemical Name | 8-Nitro-1,4-Dioxaspiro[4.5]Decane |
| IUPAC Name | 8-nitro-1,4-dioxaspiro[4.5]decane |
| InChI | InChI=1S/C8H13NO4/c10-9(11)7-1-3-8(4-2-7)12-5-6-13-8/h7H,1-6H2 |
| InChI Key | QWKNDRYGFOFRES-UHFFFAOYSA-N |
| MDL Number | MFCD27998098 |
| Molecular Formula | C8H13NO4 |
| Molecular Weight | 187.1931 |
| SMILES | C1CC2(CCC1[N+](=O)[O-])OCCO2 |
| Synonyms | 8-Nitro-1,4-dioxaspiro[4.5]decane,
635728-10-8,
ZINC97759116,
1,4-Dioxaspiro[4.5]decane, 8-nitro-,
AS-62311,
CS-0038163,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.084458g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.19g/mol |
| Monoisotopic Mass | 187.084458g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number