(S)-1-(4-Hydroxyphenyl)ethane-1,2-diol
PubChem CID: 45083090
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| Compound Synonyms | (S)-1-(4-Hydroxyphenyl)ethane-1,2-diol, 622854-00-6, (+)-(s)-1-(4-hydroxyphenyl)ethane-1,2-diol, 1,2-Ethanediol, 1-(4-hydroxyphenyl)-, (1S)- (9CI), HY-W087444A, DA-49011, CS-0373571, (1S)-1-(4-HYDROXYPHENYL)ETHANE-1,2-DIOL |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 108.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1S)-1-(4-hydroxyphenyl)ethane-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | -0.9 |
| Molecular Formula | C8H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VYRWCSXMABWFDW-MRVPVSSYSA-N |
| Fcsp3 | 0.25 |
| Logs | -0.74 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.449 |
| Compound Name | (S)-1-(4-Hydroxyphenyl)ethane-1,2-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 154.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6642593636363634 |
| Inchi | InChI=1S/C8H10O3/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8-11H,5H2/t8-/m1/s1 |
| Smiles | C1=CC(=CC=C1[C@@H](CO)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients