4LW

(2Z)-2-fluoro-3-phenylprop-2-enoic acid

Created:	2015-04-14
Last modified:	2015-06-17

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of 4LW

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Chemical Component Summary
Name	(2Z)-2-fluoro-3-phenylprop-2-enoic acid
Systematic Name (OpenEye OEToolkits)	(Z)-2-fluoranyl-3-phenyl-prop-2-enoic acid
Formula	C₉ H₇ F O₂
Molecular Weight	166.149
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	F\C(=C/c1ccccc1)C(O)=O
SMILES	CACTVS	3.385	OC(=O)C(F)=Cc1ccccc1
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)C=C(C(=O)O)F
Canonical SMILES	CACTVS	3.385	OC(=O)C(/F)=C/c1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)/C=C(/C(=O)O)\F
InChI	InChI	1.03	InChI=1S/C9H7FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,(H,11,12)/b8-6-
InChIKey	InChI	1.03	QONCEXMULRJPPY-VURMDHGXSA-N

Related Resource References

Resource Name	Reference
PubChem	1550911
ChEMBL	CHEMBL4064181

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