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- ChemComp-4M4: 2-Methoxy-4-vinylphenol -

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Basic information

EntryDatabase: PDB chemical components / ID: 4M4
NameName: 2-Methoxy-4-vinylphenol / Synonyms: 4-vinyl guaiacol

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Chemical information

Composition
Formula: C9H10O2 / Number of atoms: 21 / Formula weight: 150.174 / Formal charge: 0
Others

4zaa

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4M4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4ZAA
History
Create componentApr 15, 2015
Initial releaseJun 17, 2015
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

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

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SMILES CANONICAL

CACTVS 3.385COc1cc(C=C)ccc1O
OpenEye OEToolkits 1.9.2COc1cc(ccc1O)C=C

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InChI

InChI 1.03InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3

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InChIKey

InChI 1.03YOMSJEATGXXYPX-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-ethenyl-2-methoxyphenol
OpenEye OEToolkits 1.9.24-ethenyl-2-methoxy-phenol

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PDB entries

Showing all 1 items

PDB-4zaa:
Structure of A. niger Fdc1 in complex with 4-vinyl guaiacol

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