| Phytochemical Name : 3,4-Dihydroxybenzaldehyde |
| PCNDIDOT0713 |
| Pubchem CID : 8768 |
| Molecular formula: C7H6O3 |
| Canonical SMILES : C1=CC(=C(C=C1C=O)O)O |
Synonymes : 3,4-Dihydroxybenzaldehyde|Protocatechualdehyde|139-85-5|PROTOCATECHUIC ALDEHYDE|Rancinamycin IV|Benzaldehyde, 3,4-dihydroxy-|4-Formyl-1,2-dihydroxybenzene|3,4-Dihydroxybenzenecarbonal|3,4-dihydroxy-benzaldehyde|catechaldehyde|4-Formyl-1,2-benzenediol|1,2-Dihydroxy-4-formylbenzene|protocatechuicaldehyde|MFCD00003370|NSC 22961|CHEBI:50205|UNII-4PVP2HCH4T|4PVP2HCH4T|3,4-dihydroxy benzaldehyde|EINECS 205-377-7|3,4-Dihydroxybenzyl aldehyde|NSC-22961|MLS000069606|GM-W03|3,4-Dihydroxybenzaldehyde, 97%|DIHYDROXYBENZALDEHYDE, 3,4-|SMR000059038|Opera_ID_356|3,4 dihydroxybenzaldehyde|4,5-Dihydroxybenzaldehyde|3, 4-Dihydroxybenzaldehyde|3,4-DHBAOP|SCHEMBL36350|MLS001148401|CHEMBL222021|MEGxm0_000158|DTXSID4074512|ACon1_001620|Nc 033|PROTOCATECHUALDEHYDE [MI]|HMS2236H03|HMS3370F03|BCP00880|HY-N0295|NSC22961|PROTOCATECHUICALDEHYDE [INCI]|BBL010377|s3952|STL146017|AKOS000119507|CCG-266142|CS-W009195|DB11268|PS-5533|NCGC00180319-01|AC-10830|AC-34922|BP-11465|SY001411|LS-125886|AM20020464|D0566|FT-0614322|EN300-17568|3,4-Dihydroxybenzaldehyde, analytical standard|A14824|A15221|D-3480|AR-360/40191185|Q411602|3,4-Dihydroxybenzaldehyde, purum, >=97.0% (HPLC)|Z56957508|4-(Hydroxymethylene)-2-hydroxy-2,5-cyclohexadien-1-one|F2190-0614|3,4-Dihydroxybenzaldehyde, Vetec(TM) reagent grade, 97%|H6N |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.790 |
| Log Po/w (XLOGP3) : 1.090 |
| Log Po/w (WLOGP) : 0.910 |
| Log Po/w (MLOGP) : 0.180 |
| Log Po/w (SILICOS-IT) : 1.020 |
| Consensus Log Po/w : 0.800 |