3-Hydroxy-4H-pyran-4-one
PubChem CID: 68129
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| Compound Synonyms | 3-Hydroxy-4H-pyran-4-one, 496-63-9, Pyromeconic acid, 3-hydroxypyran-4-one, 4H-Pyran-4-one, 3-hydroxy-, 3-Hydroxy-4-pyrone, Pyrocomenic Acid, NSC 78608, 8J0G2X46R7, EINECS 207-823-6, MFCD09863957, NSC-78608, CHEMBL79857, DTXSID7060091, Pyromeconicacid, Pyromekonsaure, UNII-8J0G2X46R7, 3-Hydroxy-pyran-4-one, 3-hydroxy-pyran-4(1H)-one, SCHEMBL588597, 3-hydroxy-pyran-4(l H)-one, SCHEMBL6991329, DTXCID0040703, VEYIMQVTPXPUHA-UHFFFAOYSA-, 4-oxo-(4H)-pyran-3-yl alcohol, CS-D1527, HY-N1997, NSC78608, BDBM50536112, AKOS006283182, FP27351, GS-0900, SB12364, DA-23558, SY024796, NS00031932, EN300-116571, Q27270604, Z1198235068, InChI=1/C5H4O3/c6-4-1-2-8-3-5(4)7/h1-3,7H, 207-823-6 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08254, P08253, P03956, P29477, P22894, P09917, O42713, P14780, P15917, P03433 |
| Iupac Name | 3-hydroxypyran-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C5H4O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VEYIMQVTPXPUHA-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -0.403 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.435 |
| Compound Name | 3-Hydroxy-4H-pyran-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 112.016 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.016 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 112.08 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.8000792000000005 |
| Inchi | InChI=1S/C5H4O3/c6-4-1-2-8-3-5(4)7/h1-3,7H |
| Smiles | C1=COC=C(C1=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pyrola Rotundifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all