| CAS Number | 2177267-63-7 |
| Catalog Number | AG01FU0G(AGN-PC-3H60EE) |
| Chemical Name | 1,4,9-Trioxa-dispiro[4.2.5.2]pentad ecane-10-carboxylic acid methyl est er |
| IUPAC Name | methyl 1,4,9-trioxadispiro[4.2.58.25]pentadecane-10-carboxylate |
| InChI | InChI=1S/C14H22O5/c1-16-12(15)11-3-2-4-13(19-11)5-7-14(8-6-13)17-9-10-18-14/h11H,2-10H2,1H3 |
| InChI Key | LINQILFVWJDYGV-UHFFFAOYSA-N |
| Molecular Formula | C14H22O5 |
| Molecular Weight | 270.3215 |
| SMILES | COC(=O)C1CCCC2(O1)CCC1(CC2)OCCO1 |
| Synonyms | 1,4,9-Trioxa-dispiro[4.2.5.2]pentadecane-10-carboxylic acid methyl ester,
CS-0079885,
Methyl 1,4,9-trioxadispiro[4.2.58.25]pentadecane-10-carboxylate,
1,4,9-Trioxadispiro[4.2.5.2]pentadecane-10-carboxylic acid, methyl ester,
2177267-63-7,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.146724g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.32g/mol |
| Monoisotopic Mass | 270.146724g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number