3-Hydroxybutyrolactone
PubChem CID: 95652
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| Compound Synonyms | 5469-16-9, 4-HYDROXYDIHYDROFURAN-2(3H)-ONE, 2(3H)-Furanone, dihydro-4-hydroxy-, 4-hydroxyoxolan-2-one, 4-HYDROXYDIHYDROFURAN-2-ONE, 3-hydroxybutyrolactone, (+/-)-beta-Hydroxy-gamma-butyrolactone, 0M94O5FN60, MFCD00090014, NSC-26907, 3,4-Dihydroxybutyric acid gamma-lactone, 3-hydroxy-gamma-butyrolactone, DIHYDRO-4-HYDROXY-2(3H)-FURANONE, 4-hydroxy-dihydrofuran-2(3H)-one, 3-HYDROXY-.GAMMA.-BUTYROLACTONE, 3,4-DIHYDROXYBUTYRIC ACID 1,4-LACTONE, BUTYRIC ACID, .BETA.,.GAMMA.-DIHYDROXY-, .GAMMA.-LACTONE, 4-Hydroxydihydro-2(3H)-furanone, UNII-0M94O5FN60, MFCD00211248, (+/-)-3-HYDROXY-GAMMA-BUTYROLACTONE, NSC26907, NSC 26907, 3,4-Dihydroxybutanoic acid gamma-lactone, beta-hydroxybutyrolactone, AI3-05623, SCHEMBL52211, (S)-b-Hydroxy-g-butyrolactone, beta-hydroxy-gamma-butyrolactone, DTXSID00872986, S-beta-Hydroxy-gamma-butyrolactone, 4-Hydroxydihydro-2(3H)-furanone #, Dihydro-4-hydroxy-2-(3H)-furanone, AKOS006228170, SB38494, SB45411, AS-60546, SY002401, SY109477, SY109494, DB-018079, DB-052633, NS00001195, 3,4-DIHYDROXYBUTYRIC ACID .GAMMA.-LACTONE, Q27236966, ( inverted exclamation markA)-, A-Hydroxy-, A-butyrolactone, BUTYRIC ACID, BETA,GAMMA-DIHYDROXY-, GAMMA-LACTONE |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 88.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxyoxolan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.8 |
| Molecular Formula | C4H6O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FUDDLSHBRSNCBV-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Logs | 0.331 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.012 |
| Compound Name | 3-Hydroxybutyrolactone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 102.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 102.032 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 102.09 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.02474820000000022 |
| Inchi | InChI=1S/C4H6O3/c5-3-1-4(6)7-2-3/h3,5H,1-2H2 |
| Smiles | C1C(COC1=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients