9O6

(2R,3S)-3-fluoro-2-hydroxy-3-phenylpropanoic acid

Created:	2018-06-12
Last modified:	2019-06-19

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1 entries where 9O6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	2
Bond Count	22
Aromatic Bond Count	6

2D diagram of 9O6

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Chemical Component Summary
Name	(2R,3S)-3-fluoro-2-hydroxy-3-phenylpropanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{S})-3-fluoranyl-2-oxidanyl-3-phenyl-propanoic acid
Formula	C₉ H₉ F O₃
Molecular Weight	184.164
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cccc(c1)C(C(O)C(=O)O)F
SMILES	CACTVS	3.385	O[CH]([CH](F)c1ccccc1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)C(C(C(=O)O)O)F
Canonical SMILES	CACTVS	3.385	O[C@@H]([C@@H](F)c1ccccc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)[C@@H]([C@@H](C(=O)O)O)F
InChI	InChI	1.03	InChI=1S/C9H9FO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,(H,12,13)/t7-,8-/m0/s1
InChIKey	InChI	1.03	POQABCILWJYWJF-YUMQZZPRSA-N

Related Resource References

Resource Name	Reference
PubChem	138403125

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