Lobutoic acid

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Catalog Number

ACM522532

Product Name

Lobutoic acid

Structure

CAS

522-53-2

Category

Heterocyclic Organic Compound

Synonyms

LOBARIC ACID;USNETIC ACID;lobutoic;8-Hydroxy-3-methoxy-11-oxo-1-(1-oxopentyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid

IUPAC Name

9-formyl-3-hydroxy-6-oxo-7-pentanoyl-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid

Molecular Weight

456.49

Molecular Formula

C₂₅H₂₆O₈

Canonical SMILES

CCCCCC1=C2C(=CC(=C1C(=O)O)O)OC(=O)C3=C(O2)C=C(C=C3C(=O)CCCC)OC

InChI Key

AMUYSZAQWSNVLN-UHFFFAOYSA-N

Boiling Point

667.9ºC at 760mmHg

Flash Point

225.7ºC

Density

1.265g/cm³

Exact Mass

456.17800

H-Bond Acceptor

H-Bond Donor

MSDS

COA

Spec Sheet

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