2,4,6-Trihydroxybenzaldehyde
PubChem CID: 68099
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| Compound Synonyms | 2,4,6-Trihydroxybenzaldehyde, 487-70-7, Phloroglucinaldehyde, Benzaldehyde, 2,4,6-trihydroxy-, Formylphloroglucinal, Formylphloroglucinol, Phloroglucinolcarboxaldehyde, Phloroglucinol aldehyde, MFCD00003329, NSC 38610, BRN 2254429, EINECS 207-663-7, NSC-38610, UNII-I70C45KRO9, I70C45KRO9, DTXSID90197594, WLH-113, NSC38610, Benzaldehyde,4,6-trihydroxy-, SCHEMBL307321, 2,4,6-trihydroxy-benzaldehyde, CHEMBL2403487, DTXCID50120085, CHEBI:189728, AKOS015899852, CS-W005130, FT42976, GS-3678, HY-W005130, 2,4,6-Trihydroxybenzaldehyde, >=97%, SY047039, DB-019833, NS00031824, T1744, EN300-177718, 2,4,6-Trihydroxybenzaldehyde, Phloroglucinaldehyde, Z1255485214 |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 135.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P05067 |
| Iupac Name | 2,4,6-trihydroxybenzaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C7H6O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BTQAJGSMXCDDAJ-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.801 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.005 |
| Compound Name | 2,4,6-Trihydroxybenzaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.027 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.027 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 154.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6812865636363634 |
| Inchi | InChI=1S/C7H6O4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-3,9-11H |
| Smiles | C1=C(C=C(C(=C1O)C=O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all