A1AQJ

(3-hydroxyphenyl)(morpholin-4-yl)methanone

Created:	2024-04-29
Last modified:	2024-05-29

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1 entries where A1AQJ 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	6

2D diagram of A1AQJ

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Chemical Component Summary
Name	(3-hydroxyphenyl)(morpholin-4-yl)methanone
Systematic Name (OpenEye OEToolkits)	(3-hydroxyphenyl)-morpholin-4-yl-methanone
Formula	C₁₁ H₁₃ N O₃
Molecular Weight	207.226
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1cccc(O)c1)N1CCOCC1
SMILES	CACTVS	3.385	Oc1cccc(c1)C(=O)N2CCOCC2
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)O)C(=O)N2CCOCC2
Canonical SMILES	CACTVS	3.385	Oc1cccc(c1)C(=O)N2CCOCC2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)O)C(=O)N2CCOCC2
InChI	InChI	1.06	InChI=1S/C11H13NO3/c13-10-3-1-2-9(8-10)11(14)12-4-6-15-7-5-12/h1-3,8,13H,4-7H2
InChIKey	InChI	1.06	PELYAGCBLDBUTI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	21238511

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