Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

JZ3 : Summary

Code

JZ3

One-letter code

X

Molecule name

Guaiacol

Synonyms

2-methoxyphenol

Systematic names

ProgramVersionName
ACDLabs 12.01 2-methoxyphenol
OpenEye OEToolkits 1.7.6 2-methoxyphenol

Formula

C7 H8 O2

Formal charge

0

Molecular weight

124.137 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Oc1ccccc1OC
SMILES CACTVS 3.370 COc1ccccc1O
SMILES OpenEye OEToolkits 1.7.6 COc1ccccc1O
Canonical SMILES CACTVS 3.370 COc1ccccc1O
Canonical SMILES OpenEye OEToolkits 1.7.6 COc1ccccc1O

IUPAC InChI

InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3

IUPAC InChI key

LHGVFZTZFXWLCP-UHFFFAOYSA-N
JZ3

wwPDB Information

Atom count

17 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-06-16

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned