IJV

3,5-dimethoxy-4-oxidanyl-benzaldehyde

Created:	2022-07-06
Last modified:	2023-06-28

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1 entries where IJV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

2D diagram of IJV

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Chemical Component Summary
Name	3,5-dimethoxy-4-oxidanyl-benzaldehyde
Synonyms	Syringaldehyde
Systematic Name (OpenEye OEToolkits)	3,5-dimethoxy-4-oxidanyl-benzaldehyde
Formula	C₉ H₁₀ O₄
Molecular Weight	182.173
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cc(C=O)cc(OC)c1O
SMILES	OpenEye OEToolkits	2.0.7	COc1cc(cc(c1O)OC)C=O
Canonical SMILES	CACTVS	3.385	COc1cc(C=O)cc(OC)c1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1cc(cc(c1O)OC)C=O
InChI	InChI	1.06	InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3
InChIKey	InChI	1.06	KCDXJAYRVLXPFO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8655
ChEMBL	CHEMBL225303
ChEBI	CHEBI:67380
CCDC/CSD	IZALAW
COD	2203981

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.