| CAS Number | 2177266-33-8 |
| Catalog Number | AG01FLE9(AGN-PC-3H4B41) |
| Chemical Name | 1,4,9-Trioxa-dispiro[4.2.4.2]tetrad ecane-10-carboxylic acid methyl est er |
| IUPAC Name | methyl 4,9,12-trioxadispiro[4.2.48.25]tetradecane-3-carboxylate |
| InChI | InChI=1S/C13H20O5/c1-15-11(14)10-2-3-12(18-10)4-6-13(7-5-12)16-8-9-17-13/h10H,2-9H2,1H3 |
| InChI Key | NQDGKQXXCYVOLN-UHFFFAOYSA-N |
| MDL Number | MFCD31731526 |
| Molecular Formula | C13H20O5 |
| Molecular Weight | 256.2949 |
| SMILES | COC(=O)C1CCC2(O1)CCC1(CC2)OCCO1 |
| Synonyms | 1,4,9-Trioxa-dispiro[4.2.4.2]tetradecane-10-carboxylic acid methyl ester,
CS-0079859,
Methyl 1,4,9-trioxadispiro[4.2.48.25]tetradecane-10-carboxylate,
1,4,9-Trioxadispiro[4.2.4.2]tetradecane-10-carboxylic acid, methyl ester,
2177266-33-8,
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| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.131074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.29g/mol |
| Monoisotopic Mass | 256.131074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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