| CAS Number | 203912-55-4 |
| Catalog Number | AG01B9RT(AGN-PC-0QU1HJ) |
| Chemical Name | 1-(3,5-Dimethoxyphenyl)propan-1-ol |
| IUPAC Name | 1-(3,5-dimethoxyphenyl)propan-1-ol |
| InChI | InChI=1S/C11H16O3/c1-4-11(12)8-5-9(13-2)7-10(6-8)14-3/h5-7,11-12H,4H2,1-3H3 |
| InChI Key | KVVMCOXXZIIDGN-UHFFFAOYSA-N |
| MDL Number | MFCD11835554 |
| Molecular Formula | C11H16O3 |
| Molecular Weight | 196.2429 |
| SMILES | CCC(C1=CC(OC)=CC(OC)=C1)O |
| Synonyms | 1-(3,5-dimethoxyphenyl)propan-1-ol,
203912-55-4,
1-(3,5-dimethoxy-phenyl)-propan-1-ol,
SCHEMBL846120,
1-(3,5-Dimethoxyphenyl)-1-propanol,
AKOS009282036,
MCULE-7511651272,
Z367678472,
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| Complexity | 149 |
| 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 | 4 |
| 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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