Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

W0P : Summary

Code

W0P

One-letter code

X

Molecule name

(2R)-2-(2-fluorophenoxy)propanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-2-(2-fluorophenoxy)propanoic acid
OpenEye OEToolkits 2.0.7 (2~{R})-2-(2-fluoranylphenoxy)propanoic acid

Formula

C9 H9 F O3

Formal charge

0

Molecular weight

184.164 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1cc(c(cc1)F)OC(C(=O)O)C
SMILES CACTVS 3.385 C[CH](Oc1ccccc1F)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(C(=O)O)Oc1ccccc1F
Canonical SMILES CACTVS 3.385 C[C@@H](Oc1ccccc1F)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@H](C(=O)O)Oc1ccccc1F

IUPAC InChI

InChI=1S/C9H9FO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)/t6-/m1/s1

IUPAC InChI key

MMWXPDDADHYFFS-ZCFIWIBFSA-N
W0P

wwPDB Information

Atom count

22 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-09-24

Last modified at

2021-01-08

Status

Released

Obsoleted

Not Assigned