Chemical Components in the PDB

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4M4 : Summary

Code

4M4

One-letter code

X

Molecule name

2-Methoxy-4-vinylphenol

Synonyms

4-vinyl guaiacol

Systematic names

ProgramVersionName
ACDLabs 12.01 4-ethenyl-2-methoxyphenol
OpenEye OEToolkits 1.9.2 4-ethenyl-2-methoxy-phenol

Formula

C9 H10 O2

Formal charge

0

Molecular weight

150.174 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1(O)c(OC)cc(cc1)\C=C
SMILES CACTVS 3.385 COc1cc(C=C)ccc1O
SMILES OpenEye OEToolkits 1.9.2 COc1cc(ccc1O)C=C
Canonical SMILES CACTVS 3.385 COc1cc(C=C)ccc1O
Canonical SMILES OpenEye OEToolkits 1.9.2 COc1cc(ccc1O)C=C

IUPAC InChI

InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3

IUPAC InChI key

YOMSJEATGXXYPX-UHFFFAOYSA-N
4M4

wwPDB Information

Atom count

21 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-04-15

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned