3-Hydroxytetradecanoic acid
PubChem CID: 16064
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| Compound Synonyms | 3-HYDROXYTETRADECANOIC ACID, 3-Hydroxymyristic acid, 1961-72-4, Tetradecanoic acid, 3-hydroxy-, 3422-31-9, DL-B-HYDROXYMYRISTIC ACID, beta-Hydroxymyristic acid, beta-Hydroxytetradecanoic acid, (+/-)-3-hydroxymyristic acid, 3-HYDROXY-TETRADECANOIC ACID, MFCD00059633, FL8S7F2JJQ, .beta.-Hydroxymyristic acid, DL-beta-Hydroxymyristic acid, .beta.-Hydroxytetradecanoic acid, CHEMBL4456892, (RS)-3-Hydroxytetradecanoic acid, (+/-)-3-Hydroxytetradecanoic acid, UNII-FL8S7F2JJQ, BRN 1725372, starbld0000280, beta-hydroxy-myristic acid, 3-03-00-00660 (Beilstein Handbook Reference), SCHEMBL142895, DL- beta -Hydroxymyristic acid, CHEBI:85148, 3-Hydroxymyristic acid (racemic), DTXSID20941380, (3RS)-3-Hydroxytetradecanoic acid, BAA96172, BDBM50511033, LMFA01050175, AKOS027380549, CS-W010260, DL-beta-Hydroxymyristic acid, >=98%, HY-W009544, SB47509, AS-58639, 3-HYDROXYMYRISTIC ACID, (+/-)-, DB-294356, H0274, T72017, Q27158359, Tetradecanoic acid, 3-hydroxy- (6CI,7CI,8CI,9CI), F98D6745-6EF1-4182-BB79-6FB77737B72C, Z6X |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 180.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxytetradecanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C14H28O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ATRNZOYKSNPPBF-UHFFFAOYSA-N |
| Fcsp3 | 0.9285714285714286 |
| Logs | -3.481 |
| Rotatable Bond Count | 12.0 |
| Logd | 2.263 |
| Compound Name | 3-Hydroxytetradecanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 244.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.517825 |
| Inchi | InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17) |
| Smiles | CCCCCCCCCCCC(CC(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients