856

O 4-(2-hydroxyethyl) O 1-methyl benzene-1,4-dicarboxylate

Created:	2017-04-19
Last modified:	2017-12-20

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1 entries where 856 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	6

2D diagram of 856

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Chemical Component Summary
Name	O 4-(2-hydroxyethyl) O 1-methyl benzene-1,4-dicarboxylate
Systematic Name (OpenEye OEToolkits)	~{O}4-(2-hydroxyethyl) ~{O}1-methyl benzene-1,4-dicarboxylate
Formula	C₁₁ H₁₂ O₅
Molecular Weight	224.21
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COC(=O)c1ccc(cc1)C(=O)OCCO
SMILES	OpenEye OEToolkits	2.0.6	COC(=O)c1ccc(cc1)C(=O)OCCO
Canonical SMILES	CACTVS	3.385	COC(=O)c1ccc(cc1)C(=O)OCCO
Canonical SMILES	OpenEye OEToolkits	2.0.6	COC(=O)c1ccc(cc1)C(=O)OCCO
InChI	InChI	1.03	InChI=1S/C11H12O5/c1-15-10(13)8-2-4-9(5-3-8)11(14)16-7-6-12/h2-5,12H,6-7H2,1H3
InChIKey	InChI	1.03	DJQMYWWZWUOCBQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	77207
CCDC/CSD	VEDGEU

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