Hydrocinnamic acid, p-(trimethylsiloxy)-, methyl ester
PubChem CID: 601812
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| Compound Synonyms | Methyl 3-(4-hydroxyphenyl)propionate, TMS derivative, Hydrocinnamic acid, p-(trimethylsiloxy)-, methyl ester, 27798-74-9, RDFZZIOGYFTNSR-UHFFFAOYSA-N, DTXSID201346314, Trimethylsilyl ether, methyl ester of p-Hydroxyphenylpropionic acid, Methyl 3-(4-[(trimethylsilyl)oxy]phenyl)propanoate, Methyl 3-(4-[(trimethylsilyl)oxy]phenyl)propanoate # |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 240.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 3-(4-trimethylsilyloxyphenyl)propanoate |
| Prediction Hob | 1.0 |
| Molecular Formula | C13H20O3Si |
| Prediction Swissadme | 1.0 |
| Inchi Key | RDFZZIOGYFTNSR-UHFFFAOYSA-N |
| Fcsp3 | 0.4615384615384615 |
| Logs | -5.422 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.877 |
| Compound Name | Hydrocinnamic acid, p-(trimethylsiloxy)-, methyl ester |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 252.118 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.118 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 252.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C13H20O3Si/c1-15-13(14)10-7-11-5-8-12(9-6-11)16-17(2,3)4/h5-6,8-9H,7,10H2,1-4H3 |
| Smiles | COC(=O)CCC1=CC=C(C=C1)O[Si](C)(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bulbophyllum Odoratissimum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients