Benzeneacetic acid, 4-hydroxy-, methyl ester
PubChem CID: 518900
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| Compound Synonyms | Methyl 4-hydroxyphenylacetate, 14199-15-6, methyl 2-(4-hydroxyphenyl)acetate, 4-Hydroxyphenylacetic acid methyl ester, Benzeneacetic acid, 4-hydroxy-, methyl ester, Methyl (4-hydroxyphenyl)acetate, 4-Hydroxyphenylacetic acid methl ester, Acetic acid, (p-hydroxyphenyl)-, methyl ester, EINECS 238-050-2, MFCD00002387, 4-hydroxybenzeneacetic acid methyl ester, AI3-36062, DTXSID0065725, methyl2-(4-hydroxyphenyl)acetate, p-Hydroxyphenylacetic acid methyl ester, methyl p-hydroxyphenylacetate, Methy 4-Hydroxyphenylacetate, WN72UVQ99P, Methyl-4-hydroxyphenylacetate, methyl 4-hydroxybenzeneacetate, SCHEMBL112488, methyl 4-hydroxyphenylethanoate, methyl(4-hydroxyphenyl)acetate, Methyl (p-hydroxyphenyl)acetate, DTXCID4034605, CHEBI:68078, methyl (4-hydroxyphenyl)ethanoate, Methyl-2-(4-hydroxyphenyl)acetate, STR01403, STK400488, AKOS003267785, CS-W001084, FM38911, HY-W001084, 4-hydroxyphenylacetic acid, methyl ester, (4-hydroxyphenyl)acetic acid methyl ester, 4-hydroxy phenyl acetic acid methyl ester, AC-14361, SY001844, DB-032221, (4-Hydroxy-phenyl)-acetic acid methyl ester, 2-(4-hydroxyphenyl)acetic acid methyl ester, H0856, NS00015145, EN300-20984, Methyl 4-hydroxyphenylacetate, ReagentPlus(R), 99%, Q27136571, Methyl 4-hydroxyphenylacetate, Vetec(TM) reagent grade, 98%, 238-050-2 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 148.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2-(4-hydroxyphenyl)acetate |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C9H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XGDZEDRBLVIUMX-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -0.988 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.222 |
| Compound Name | Benzeneacetic acid, 4-hydroxy-, methyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 166.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 166.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9683912000000001 |
| Inchi | InChI=1S/C9H10O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3 |
| Smiles | COC(=O)CC1=CC=C(C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Abutilon Theophrasti (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Agathosma Scaberula (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Balanophora Harlandii (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Cichorium Intybus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Euphorbia Biglandulosa (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Forsythia Suspensa (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Forsythia Viridissima (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Lupinus Cosentinii (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Pleione Bulbocodioides (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Polemonium Caeruleum (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Strychnos Ledermannii (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Viburnum Davidii (Plant) Rel Props:Source_db:cmaup_ingredients