9NO

3,3-difluoro-2,2-dihydroxy-3-phenylpropanoic acid

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

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1 entries where 9NO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

2D diagram of 9NO

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Chemical Component Summary
Name	3,3-difluoro-2,2-dihydroxy-3-phenylpropanoic acid
Systematic Name (OpenEye OEToolkits)	3,3-bis(fluoranyl)-2,2-bis(oxidanyl)-3-phenyl-propanoic acid
Formula	C₉ H₈ F₂ O₄
Molecular Weight	218.154
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(C(c1ccccc1)(F)F)(O)O
SMILES	CACTVS	3.385	OC(=O)C(O)(O)C(F)(F)c1ccccc1
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)C(C(C(=O)O)(O)O)(F)F
Canonical SMILES	CACTVS	3.385	OC(=O)C(O)(O)C(F)(F)c1ccccc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)C(C(C(=O)O)(O)O)(F)F
InChI	InChI	1.03	InChI=1S/C9H8F2O4/c10-8(11,9(14,15)7(12)13)6-4-2-1-3-5-6/h1-5,14-15H,(H,12,13)
InChIKey	InChI	1.03	KXZATYZRTLHUGB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	129989935

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