Diethylene glycol monobenzoate
PubChem CID: 88603
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| Compound Synonyms | 2-(2-Hydroxyethoxy)ethyl benzoate, 20587-61-5, Diethylene glycol monobenzoate, Ethanol, 2-[2-(benzoyloxy)ethoxy]-, Diethylene glycol benzoate, Ethanol, 2-(2-(benzoyloxy)ethoxy)-, Ethanol, 2,2'-oxybis-, monobenzoate, EINECS 243-895-5, NSC 71576, U8NT2B98P1, AI3-13034, NSC-71576, DTXSID6041921, 2-?(2-?Hydroxyethoxy)?ethyl Benzoate, Diethylene glycol, monobenzoate, UNII-U8NT2B98P1, NCIOpen2_003520, SCHEMBL818564, DTXCID4021921, 2-(2-Hydroxyethoxy)ethylbenzoate, Ethanol,2'-oxybis-, monobenzoate, Ethanol, 2-2-(benzoyloxy)ethoxy-, NSC71576, MFCD18967761, AKOS024257968, AS-61629, DB-312509, NS00019652, A11016, Q27290899, 243-895-5 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 175.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-hydroxyethoxy)ethyl benzoate |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C11H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DNUPYEDSAQDUSO-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -1.721 |
| Rotatable Bond Count | 7.0 |
| Logd | 1.2 |
| Compound Name | Diethylene glycol monobenzoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 210.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 210.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7082197999999995 |
| Inchi | InChI=1S/C11H14O4/c12-6-7-14-8-9-15-11(13)10-4-2-1-3-5-10/h1-5,12H,6-9H2 |
| Smiles | C1=CC=C(C=C1)C(=O)OCCOCCO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Santalum Album (Plant) Rel Props:Source_db:cmaup_ingredients