A1IAW

2-azanyl-3-ethoxy-benzoic acid

Created:	2024-05-09
Last modified:	2024-10-09

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1 entries where A1IAW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	6

2D diagram of A1IAW

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Chemical Component Summary
Name	2-azanyl-3-ethoxy-benzoic acid
Synonyms	2-amino-3-ethoxybenzoic acid
Systematic Name (OpenEye OEToolkits)	2-azanyl-3-ethoxy-benzoic acid
Formula	C₉ H₁₁ N O₃
Molecular Weight	181.189
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCOc1cccc(C(O)=O)c1N
SMILES	OpenEye OEToolkits	2.0.7	CCOc1cccc(c1N)C(=O)O
Canonical SMILES	CACTVS	3.385	CCOc1cccc(C(O)=O)c1N
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCOc1cccc(c1N)C(=O)O
InChI	InChI	1.06	InChI=1S/C9H11NO3/c1-2-13-7-5-3-4-6(8(7)10)9(11)12/h3-5H,2,10H2,1H3,(H,11,12)
InChIKey	InChI	1.06	XAMRRIIZJBMPND-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	19612056

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.