2,3-Dihydroxybenzaldehyde
PubChem CID: 90579
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| Compound Synonyms | 2,3-Dihydroxybenzaldehyde, 24677-78-9, Benzaldehyde, 2,3-dihydroxy-, o-Pyrocatechualdehyde, 5,6-Dihydroxybenzaldehyde, MFCD00003324, GP9HDE43LE, 3-Formyl-1,2-benzenediol, 1,2-Dihydroxy-3-formylbenzene, CHEBI:50197, 3-hydroxysalicylaldehyde, EINECS 246-398-1, UNII-GP9HDE43LE, NSC 146456, NSC-146456, DTXSID90179411, DIHYDROXYBENZALDEHYDE, 2,3-, Benzaldehyde, dihydroxy-, 2,3-Dihydroxybenzaldehyde, 98%, dihydroxybenzaldehyde, 2,3-dihydroxy benzaldehyde, 2,3-dihydroxy-benzaldehyde, SCHEMBL36440, CHEMBL491995, DTXCID20101902, 2,3-Dihydroxybenzaldehyde, 97%, 2,3-Dihydroxybenzaldehyde, 99%, BDBM111044, BCP25752, BBL000528, NSC146456, STK902088, AKOS000119466, CS-W007479, FD22099, 23A, AC-24170, AS-14413, SY030837, D1478, NS00027714, EN300-17250, AE-641/30608014, o-Pyrocatechualdehyde, Benzaldehyde, 2,3-dihydroxy-, US8614253, .3-75, Q27104753, Z56899185, o-Pyrocatechualdehyde (6CI,8CI), 1,2-Dihydroxy-3-formylbenzene, 3-Formyl-1,2-benzenediol, 246-398-1 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 124.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O75460 |
| Iupac Name | 2,3-dihydroxybenzaldehyde |
| Prediction Hob | 1.0 |
| Target Id | NPT1890 |
| Xlogp | 1.5 |
| Molecular Formula | C7H6O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IXWOUPGDGMCKGT-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.018 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.863 |
| Compound Name | 2,3-Dihydroxybenzaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.032 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 138.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9878563999999999 |
| Inchi | InChI=1S/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10H |
| Smiles | C1=CC(=C(C(=C1)O)O)C=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Wilsonii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all