Chemical Components in the PDB

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E0O : Summary

Code

E0O

One-letter code

X

Molecule name

2-(4-chloranylphenoxy)-2-methyl-propanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-(4-chloranylphenoxy)-2-methyl-propanoic acid

Formula

C10 H11 Cl O3

Formal charge

0

Molecular weight

214.646 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)(Oc1ccc(Cl)cc1)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(C)(C(=O)O)Oc1ccc(cc1)Cl
Canonical SMILES CACTVS 3.385 CC(C)(Oc1ccc(Cl)cc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)(C(=O)O)Oc1ccc(cc1)Cl

IUPAC InChI

InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)

IUPAC InChI key

TXCGAZHTZHNUAI-UHFFFAOYSA-N
E0O

wwPDB Information

Atom count

25 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-09-30

Last modified at

2020-11-06

Status

Released

Obsoleted

Not Assigned