| CAS Number | 57650-78-9 |
| Catalog Number | AG00F170(AGN-PC-0MUAIB) |
| Chemical Name | 1-(4-Phenoxyphenoxy)propan-2-ol |
| IUPAC Name | 1-(4-phenoxyphenoxy)propan-2-ol |
| InChI | InChI=1S/C15H16O3/c1-12(16)11-17-13-7-9-15(10-8-13)18-14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3 |
| InChI Key | RVAHBQKJLFMRFE-UHFFFAOYSA-N |
| MDL Number | MFCD00187185 |
| Molecular Formula | C15H16O3 |
| Molecular Weight | 244.2857 |
| SMILES | CC(O)COC1=CC=C(OC2=CC=CC=C2)C=C1 |
| Synonyms | 1-(4-PHENOXYPHENOXY)-2-PROPANOL,
1-(4-phenoxyphenoxy)propan-2-ol,
57650-78-9,
2-Propanol, 1-(4-phenoxyphenoxy)-, (R)-,
2-Propanol, 1-(4-phenoxyphenoxy)-, (S)-,
AC1Q2BWP,
ACMC-20m082,
ACMC-20m083,
SCHEMBL1496544,
CTK1G9307,
RVAHBQKJLFMRFE-UHFFFAOYSA-N,
95755-74-1,
95755-75-2,
1-methyl-2-(4-phenoxyphenoxy)ethanol,
AKOS011043460,
ACN-036181,
CID10399568,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.29g/mol |
| Monoisotopic Mass | 244.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number