| CAS Number | 29652-81-1 |
| Catalog Number | AG019EKM(AGN-PC-0R569K) |
| Chemical Name | 1-(3,4,5-Trimethoxyphenyl)propan-1-ol |
| IUPAC Name | 1-(3,4,5-trimethoxyphenyl)propan-1-ol |
| InChI | InChI=1S/C12H18O4/c1-5-9(13)8-6-10(14-2)12(16-4)11(7-8)15-3/h6-7,9,13H,5H2,1-4H3 |
| InChI Key | FLYMDKWKEGXJLA-UHFFFAOYSA-N |
| MDL Number | MFCD15478766 |
| Molecular Formula | C12H18O4 |
| Molecular Weight | 226.2689 |
| SMILES | CCC(C1=CC(OC)=C(OC)C(OC)=C1)O |
| Synonyms | 1-(3,4,5-trimethoxyphenyl)propan-1-ol,
29652-81-1,
1-(3,4,5-trimethoxyphenyl)-1-propanol,
CHEMBL500053,
SCHEMBL2007010,
MFCD15478766,
AKOS013209948,
CS-0037653,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.272g/mol |
| Monoisotopic Mass | 226.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 47.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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