| CAS Number | 2177266-35-0 |
| Catalog Number | AG01FLG5(AGN-PC-3H4B68) |
| Chemical Name | (1,4,9-Trioxa-dispiro[4.2.5.2]penta dec-10-yl)-methanol |
| IUPAC Name | 1,4,9-trioxadispiro[4.2.58.25]pentadecan-10-ylmethanol |
| InChI | InChI=1S/C13H22O4/c14-10-11-2-1-3-12(17-11)4-6-13(7-5-12)15-8-9-16-13/h11,14H,1-10H2 |
| InChI Key | MPRDAEBEUGBUII-UHFFFAOYSA-N |
| MDL Number | MFCD31731531 |
| Molecular Formula | C13H22O4 |
| Molecular Weight | 242.3114 |
| SMILES | OCC1CCCC2(O1)CCC1(CC2)OCCO1 |
| Synonyms | (1,4,9-Trioxa-dispiro[4.2.5.2]pentadec-10-yl)-methanol,
CS-0079899,
1,4,9-Trioxadispiro[4.2.5.2]pentadecane-10-methanol,
(1,4,9-Trioxadispiro[4.2.58.25]pentadecan-10-yl)methanol,
2177266-35-0,
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| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.151809g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.31g/mol |
| Monoisotopic Mass | 242.151809g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.9Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number