5OO

(~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid

Created:	2015-10-30
Last modified:	2016-03-02

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2 entries where 5OO is found as a standalone ligand

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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 5OO

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Chemical Component Summary
Name	(~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid
Systematic Name (OpenEye OEToolkits)	(~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid
Formula	C₉ H₆ Cl₂ O₂
Molecular Weight	217.049
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)C=Cc1ccc(Cl)cc1Cl
SMILES	OpenEye OEToolkits	2.0.4	c1cc(c(cc1Cl)Cl)C=CC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)/C=C/c1ccc(Cl)cc1Cl
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1cc(c(cc1Cl)Cl)/C=C/C(=O)O
InChI	InChI	1.03	InChI=1S/C9H6Cl2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChIKey	InChI	1.03	MEBWABJHRAYGFW-DUXPYHPUSA-N

Related Resource References

Resource Name	Reference
PubChem	688026

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