Structure Database (LMSD)

Common Name
9-(3,5-dimethylfuran-2-yl)-nonanoic acid
Systematic Name
3,5-dimethyl-2-furannonanoic acid
Synonyms
  • 9M1
LM ID
LMFA01150016
Status
Active
Exact Mass
Calculate m/z
252.172545
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
ZGIVGCXIXDJGBC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H24O3/c1-12-11-13(2)18-14(12)9-7-5-3-4-6-8-10-15(16)17/h11H,3-10H2,1-2H3,(H,16,17)
SMILES (Click to copy)
CC1=CC(C)=C(CCCCCCCCC(=O)O)O1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Acrocarpia paniculata (#717668)
Phaeophyceae (#2870)
Two new furans from the brown alga Acrocarpia paniculata: the use of 4-phenyl-4H-1,2,4-triazoline-3,5-dione to determine the substitution pattern of a furan.,
Australian Journal of Chemistry, 1982

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 1
Aromatic Rings 1
Rotatable Bonds 9
Van der Waals Molecular Volume 263.25
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.25
Molar Refractivity 71.84

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Updated at
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