| CAS Number | 2095409-78-0 |
| Catalog Number | AG00IL3V(AGN-PC-0WRAK5) |
| Chemical Name | 2-Oxaspiro[3.3]heptane-6-carboxylic acid sodium salt |
| IUPAC Name | 2-oxaspiro[3.3]heptane-6-carboxylic acid;sodium |
| InChI | InChI=1S/C7H10O3.Na/c8-6(9)5-1-7(2-5)3-10-4-7;/h5H,1-4H2,(H,8,9); |
| InChI Key | XARAETDDLJNMJO-UHFFFAOYSA-N |
| MDL Number | MFCD30493354 |
| Molecular Formula | C7H9NaO3 |
| Molecular Weight | 164.1343 |
| SMILES | [Na+].O=C([O-])C1CC2(COC2)C1 |
| Synonyms | 2-Oxaspiro[3.3]heptane-6-carboxylic acid, sodium salt,
2095409-78-0,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.144g/mol |
| Monoisotopic Mass | 165.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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