| CAS Number | 38853-85-9 |
| Catalog Number | AG01BGEN(AGN-PC-00M9SC) |
| Chemical Name | 1,4-Dioxaspiro[4.4]nonane-6-carboxylic acid |
| IUPAC Name | 1,4-dioxaspiro[4.4]nonane-9-carboxylic acid |
| InChI | InChI=1S/C8H12O4/c9-7(10)6-2-1-3-8(6)11-4-5-12-8/h6H,1-5H2,(H,9,10) |
| InChI Key | RMNUHMJLVUBJPN-UHFFFAOYSA-N |
| MDL Number | MFCD20639843 |
| Molecular Formula | C8H12O4 |
| Molecular Weight | 172.1785 |
| SMILES | O1CCOC12C(CCC2)C(=O)O |
| Synonyms | 1,4-Dioxaspiro[4.4]nonane-6-carboxylic acid,
38853-85-9,
SCHEMBL4978998,
CTK1A8730,
DTXSID90539172,
AKOS023558228,
Z2009847990,
1,4-dioxaspiro[4.4]nonane-9-carboxylic acid,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.18g/mol |
| Monoisotopic Mass | 172.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number