A1IAY

2-azanyl-5-(3-hydroxyphenyl)benzoic acid

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

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1 entries where A1IAY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	12

2D diagram of A1IAY

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Chemical Component Summary
Name	2-azanyl-5-(3-hydroxyphenyl)benzoic acid
Synonyms	2-amino-5-(3-hydroxyphenyl)benzoic acid
Systematic Name (OpenEye OEToolkits)	2-azanyl-5-(3-hydroxyphenyl)benzoic acid
Formula	C₁₃ H₁₁ N O₃
Molecular Weight	229.231
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1ccc(cc1C(O)=O)c2cccc(O)c2
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)O)c2ccc(c(c2)C(=O)O)N
Canonical SMILES	CACTVS	3.385	Nc1ccc(cc1C(O)=O)c2cccc(O)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)O)c2ccc(c(c2)C(=O)O)N
InChI	InChI	1.06	InChI=1S/C13H11NO3/c14-12-5-4-9(7-11(12)13(16)17)8-2-1-3-10(15)6-8/h1-7,15H,14H2,(H,16,17)
InChIKey	InChI	1.06	ZVZKDICKHCXFFL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	39231823

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