| CAS Number | 1330756-23-4 |
| Catalog Number | AG00J2AH(AGN-PC-0WB5ZO) |
| Chemical Name | 1,9-Dioxaspiro[5.5]undecan-4-one |
| IUPAC Name | 1,9-dioxaspiro[5.5]undecan-4-one |
| InChI | InChI=1S/C9H14O3/c10-8-1-4-12-9(7-8)2-5-11-6-3-9/h1-7H2 |
| InChI Key | KJJVDZGTYFEALW-UHFFFAOYSA-N |
| MDL Number | MFCD19651145 |
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.2057 |
| SMILES | O1CCC(CC12CCOCC2)=O |
| Synonyms | 1,9-dioxaspiro[5.5]undecan-4-one,
1330756-23-4,
MFCD19651145,
ZINC67425212,
AKOS013423487,
Y-8094,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.208g/mol |
| Monoisotopic Mass | 170.094g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number