4-Acetoxybenzyl acetate
PubChem CID: 470279
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-acetoxybenzyl acetate, 2937-64-6, (4-acetyloxyphenyl)methyl acetate, Benzenemethanol, 4-(acetyloxy)-, 1-acetate, p-Hydroxybenzyl alcohol diacetate, Benzenemethanol, 4-(acetyloxy)-, acetate, 4-(acetyloxy)benzyl acetate, 4-acetoxybenzylacetate, p-Acetoxybenzyl acetate, M8SMX9A9XU, bmse010015, 4-Acetoxymethylphenyl acetate, CHEMBL356415, SCHEMBL8033783, (4-acetoxyphenyl)methyl acetate, 4-Hydroxybenzyl alcohol diacetate, 4-(Acetyloxymethyl)phenyl acetate, HUOJLQXKNCFOGC-UHFFFAOYSA-N, DTXSID801268180, (4-acetyloxyphenyl)methyl ethanoate, [4-(acetyloxy)phenyl]methyl acetate, AC5821, MFCD29923988, Benzenemethanol, 4-hydroxy, diacetate, Benzyl alcohol, p-hydroxy-, diacetate, Acetic acid 4-acetoxymethyl-phenyl ester, SY040074 |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 229.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | (4-acetyloxyphenyl)methyl acetate |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C11H12O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HUOJLQXKNCFOGC-UHFFFAOYSA-N |
| Fcsp3 | 0.2727272727272727 |
| Logs | -2.119 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.636 |
| Compound Name | 4-Acetoxybenzyl acetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 208.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 208.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1742205999999995 |
| Inchi | InChI=1S/C11H12O4/c1-8(12)14-7-10-3-5-11(6-4-10)15-9(2)13/h3-6H,7H2,1-2H3 |
| Smiles | CC(=O)OCC1=CC=C(C=C1)OC(=O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all