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3,4-Dimethoxy-5-hydroxybenzaldehyde

PubChem CID: 141513

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Compound Synonyms 3,4-Dimethoxy-5-hydroxybenzaldehyde, 29865-90-5, 3-Hydroxy-4,5-dimethoxybenzaldehyde, 5-Hydroxy-3,4-dimethoxybenzaldehyde, 5-Hydroxyveratraldehyde, MFCD00010442, Benzaldehyde, 3-hydroxy-4,5-dimethoxy-, DTXSID50183978, 5-Hydroxy-veratraldehyde, 3,4-Dimethoxy-5-hydroxybenzaldehyde, 3-Hydroxy-4,5-dimethoxybenzaldehyde, 5-Hydroxy-3,4-dimethoxybenzaldehyde, 5-Hydroxyveratraldehyde, 3-hydroxy-4,5-dimethoxy-benzaldehyde, 5-hydroxy-veratraldehyde, 3,4-Dimethoxy-5-hydr, SCHEMBL1050289, DTXCID90106469, ALBB-029863, BCP28063, 4,5-dimethoxy-3-hydroxybenzaldehyde, AKOS015851805, 3-Hydroxy-4,5-dimethoxybenzaldehyde #, AC-4476, FD71041, PS-5579, SY051230, 3,4-Dimethoxy-5-hydroxybenzaldehyde, 98%, DB-006284, CS-0150459, H1179, EN300-117640, Z1255415466, InChI=1/C9H10O4/c1-12-8-4-6(5-10)3-7(11)9(8)13-2/h3-5,11H,1-2H, 624-297-7
Topological Polar Surface Area 55.8
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 13.0
Isotope Atom Count 0.0
Molecular Complexity 171.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 3-hydroxy-4,5-dimethoxybenzaldehyde
Prediction Hob 1.0
Xlogp 1.0
Molecular Formula C9H10O4
Prediction Swissadme 0.0
Inchi Key NVLTWXMZECWWPC-UHFFFAOYSA-N
Fcsp3 0.2222222222222222
Logs -1.684
Rotatable Bond Count 3.0
Logd 1.157
Compound Name 3,4-Dimethoxy-5-hydroxybenzaldehyde
Prediction Hob Swissadme 0.0
Exact Mass 182.058
Formal Charge 0.0
Monoisotopic Mass 182.058
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 182.17
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -1.7808234615384615
Inchi InChI=1S/C9H10O4/c1-12-8-4-6(5-10)3-7(11)9(8)13-2/h3-5,11H,1-2H3
Smiles COC1=CC(=CC(=C1OC)O)C=O
Nring 1.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Beaucarnea Recurvata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Centaurea Arenaria (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Cotylelobium Scabriusculum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Cratystylis Conocephala (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Diospyros Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Diospyros Elliptifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Diospyros Peregrina (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Gutenbergia Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Mikania Scandens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Phyllodium Pulchellum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Scorzonera Hispanica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Trapa Japonica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:cmaup_ingredients
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