| CAS Number | 39144-34-8 |
| Catalog Number | AG0037IB(AGN-PC-0JT3PV) |
| Chemical Name | 1-methoxy-3-(2-methylphenoxy)propan-2-ol |
| IUPAC Name | 1-methoxy-3-(2-methylphenoxy)propan-2-ol |
| InChI | InChI=1S/C11H16O3/c1-9-5-3-4-6-11(9)14-8-10(12)7-13-2/h3-6,10,12H,7-8H2,1-2H3 |
| InChI Key | TZOHFHCGWVFALL-UHFFFAOYSA-N |
| MDL Number | MFCD18969078 |
| Molecular Formula | C11H16O3 |
| Molecular Weight | 196.2429 |
| SMILES | COCC(COc1ccccc1C)O |
| Synonyms | 2-Propanol, 1-methoxy-3-(2-methylphenoxy)-,
39144-34-8,
1-Methoxy-3-(2-methylphenoxy)-2-propanol,
Monomethyl derivative of Mephenesin,
1-methoxy-3-(2-methylphenoxy)propan-2-ol,
AC1LCA56,
CTK1A8583,
DTXSID30341357,
TZOHFHCGWVFALL-UHFFFAOYSA-N,
1-Methoxy-3-(2-methylphenoxy)-2-propanol #,
1-Methoxy-3- -2-propanol,
CID572561,
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| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.246g/mol |
| Monoisotopic Mass | 196.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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