9O0

(2R)-3,3,3-trifluoro-2-hydroxypropanoic acid

Created:	2018-06-11
Last modified:	2019-06-19

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1 entries where 9O0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	12
Chiral Atom Count	1
Bond Count	11
Aromatic Bond Count	0

2D diagram of 9O0

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Chemical Component Summary
Name	(2R)-3,3,3-trifluoro-2-hydroxypropanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{R})-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoic acid
Formula	C₃ H₃ F₃ O₃
Molecular Weight	144.049
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(=O)C(C(F)(F)F)O
SMILES	CACTVS	3.385	O[CH](C(O)=O)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.6	C(C(=O)O)(C(F)(F)F)O
Canonical SMILES	CACTVS	3.385	O[C@H](C(O)=O)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.6	[C@@H](C(=O)O)(C(F)(F)F)O
InChI	InChI	1.03	InChI=1S/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)/t1-/m1/s1
InChIKey	InChI	1.03	BVKGUTLIPHZYCX-PVQJCKRUSA-N

Related Resource References

Resource Name	Reference
PubChem	2779069
CCDC/CSD	XUGBOT01, XUGCEK, XUGBOT, XUGBIN

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