| CAS Number | 41009-85-2 |
| Catalog Number | AG01BA6L(AGN-PC-00NE14) |
| Chemical Name | 3,3'-(1,3-Phenylene)Bis(Propan-1-Ol) |
| IUPAC Name | 3-[3-(3-hydroxypropyl)phenyl]propan-1-ol |
| InChI | InChI=1S/C12H18O2/c13-8-2-6-11-4-1-5-12(10-11)7-3-9-14/h1,4-5,10,13-14H,2-3,6-9H2 |
| InChI Key | OTILCBBQTIFAGJ-UHFFFAOYSA-N |
| MDL Number | MFCD09926774 |
| Molecular Formula | C12H18O2 |
| Molecular Weight | 194.2701 |
| SMILES | OCCCC1=CC=CC(CCCO)=C1 |
| Synonyms | 3-[3-(3-Hydroxypropyl)phenyl]propan-1-ol,
41009-85-2,
1,3-bis-(3-hydroxypropyl)benzene,
SCHEMBL241880,
1,3-bis(3-hydroxypropyl)benzene,
OTILCBBQTIFAGJ-UHFFFAOYSA-N,
ZINC44382367,
AKOS006312553,
3,3'-(1,3-Phenylene)bis(1-propanol),
Z2044949140,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.274g/mol |
| Monoisotopic Mass | 194.131g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number