| CAS Number | 382631-42-7 |
| Catalog Number | AG003DBN(AGN-PC-025DG0) |
| Chemical Name | 1,2,9-Nonanetriol |
| IUPAC Name | nonane-1,2,9-triol |
| InChI | InChI=1S/C9H20O3/c10-7-5-3-1-2-4-6-9(12)8-11/h9-12H,1-8H2 |
| InChI Key | CUUVVDHSUIKLPH-UHFFFAOYSA-N |
| MDL Number | MFCD01861292 |
| Molecular Formula | C9H20O3 |
| Molecular Weight | 176.2533 |
| SMILES | OCC(O)CCCCCCCO |
| Synonyms | 1,2,9-Nonanetriol,
382631-42-7,
nonane-1,2,9-triol,
ACMC-209iyz,
SCHEMBL820523,
CTK4H9596,
1,2,9-Nonanetriol, AldrichCPR,
DTXSID90597398,
ANW-28857,
MFCD01861292,
TC-117602,
N0652,
I14-107915,
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| Complexity | 85.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.256g/mol |
| Monoisotopic Mass | 176.141g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 60.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number