1,3-Phenylenebis(2-hydroxypropyl) ether - CAS 17977-39-8
Catalog: |
BB054300 |
Product Name: |
1,3-Phenylenebis(2-hydroxypropyl) ether |
CAS: |
17977-39-8 |
Synonyms: |
1,1'-[1,3-Phenylenebis(oxy)]di(propan-2-ol); 2-Propanol, 1,1'-[1,3-phenylenebis(oxy)]bis-; 1,1'-[1,3-Phenylenebis(oxy)]bis[2-propanol]; 2-Propanol, 1,1'-(m-phenylenedioxy)di-; 1,1'-[1,3-Phenylenebis(oxy)dipropan-2-ol |
IUPAC Name: | 1-[3-(2-hydroxypropoxy)phenoxy]propan-2-ol |
Molecular Weight: | 226.27 |
Molecular Formula: | C12H18O4 |
Canonical SMILES: | CC(COC1=CC(=CC=C1)OCC(C)O)O |
InChI: | InChI=1S/C12H18O4/c1-9(13)7-15-11-4-3-5-12(6-11)16-8-10(2)14/h3-6,9-10,13-14H,7-8H2,1-2H3 |
InChI Key: | RVEZNIXHGFAPNQ-UHFFFAOYSA-N |
Boiling Point: | 384°C |
Melting Point: | 178°C |
Purity: | ≥95% |
Density: | 1.135±0.1 g/cm3 |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.12050905 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.12050905 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 58.9 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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