2-Methoxy-4-vinylphenyl acetate
PubChem CID: 591597
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| Compound Synonyms | 2-Methoxy-4-vinylphenyl acetate, 46316-15-8, 4-Acetoxy-3-methoxystyrene, 3-methoxy-4-acetoxystyrene, SCHEMBL727002, 2-Methoxy-4-vinylphenyl acetate #, G67787 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 213.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4-ethenyl-2-methoxyphenyl) acetate |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C11H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FTBUUBIPWKNBRF-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.693 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.915 |
| Compound Name | 2-Methoxy-4-vinylphenyl acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 192.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 192.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 192.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.937069657142857 |
| Inchi | InChI=1S/C11H12O3/c1-4-9-5-6-10(14-8(2)12)11(7-9)13-3/h4-7H,1H2,2-3H3 |
| Smiles | CC(=O)OC1=C(C=C(C=C1)C=C)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ixora Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients