2-(6-Methylheptyl)phenol (Q82882074)

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chemical compound

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Language	Label	Description	Also known as
English	2-(6-Methylheptyl)phenol	chemical compound

Statements

instance of

type of chemical entity

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subclass of

biogenic alkylphenol

1 reference

based on heuristic

inferred from SMILES

chemical structure

2-(6-Methylheptyl)phenol.svg
129 × 114; 22 KB

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mass

206.167065324 dalton

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based on heuristic

inferred from InChI

chemical formula

C₁₄H₂₂O

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canonical SMILES

CC(C)CCCCCC1=CC=CC=C1O

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Identifiers

InChI

InChI=1S/C14H22O/c1-12(2)8-4-3-5-9-13-10-6-7-11-14(13)15/h6-7,10-12,15H,3-5,8-9H2,1-2H3

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InChIKey

NFAOATPOYUWEHM-UHFFFAOYSA-N

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CAS Registry Number

11081-15-5

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PubChem CID

14389816

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matched by identifier from

InChIKey

InChIKey

NFAOATPOYUWEHM-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL18379

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

NFAOATPOYUWEHM-UHFFFAOYSA-N

UniChem compound ID

26548529

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID20911866

1 reference

matched by identifier from

InChIKey

InChIKey

NFAOATPOYUWEHM-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID701018146

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EC number

234-304-1

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ECHA Substance Infocard ID

100.031.173

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