| CAS Number | 883442-47-5 |
| Catalog Number | AG00H43C(AGN-PC-03BKYV) |
| Chemical Name | 1,6-Dioxaspiro[2.5]octane-2-carbonitrile |
| IUPAC Name | 1,6-dioxaspiro[2.5]octane-2-carbonitrile |
| InChI | InChI=1S/C7H9NO2/c8-5-6-7(10-6)1-3-9-4-2-7/h6H,1-4H2 |
| InChI Key | IPHRJNDSVHURSO-UHFFFAOYSA-N |
| MDL Number | MFCD20485154 |
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.1519 |
| SMILES | N#CC1C2(CCOCC2)O1 |
| Synonyms | 1,6-Dioxaspiro[2.5]octane-2-carbonitrile,
883442-47-5,
SCHEMBL522538,
IPHRJNDSVHURSO-UHFFFAOYSA-N,
MFCD20485154,
AKOS027460683,
1,6-dioxaspiro[2,5]octane-2-carbonitrile,
1,6-Dioxa-spiro[2,5]octane-2-carbonitrile,
CS-0036875,
FT-0764175,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.154g/mol |
| Monoisotopic Mass | 139.063g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number