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2-Methoxyanofinic acid

CAT: 0013-GTR19182621Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19182621Size:5 mg
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Description
2-Methoxyanofinic acid exhibits antifungal activity against Cladosporium cucumerinum, a common plant pathogen. This small molecule is suitable for in vitro phytopathology research, particularly in studies investigating novel antifungal agents for agricultural applications.
CAS Number
179457-70-6
Field of Research
Infectious Disease & Virology
Smiles
COc1cc2OC (C) (C) C=Cc2cc1C (O) =O
Molecular Formula
C13H14O4
Molecular Weight
234.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Methoxyanofinic acid

7-methoxy-2,2-dimethylchromene-6-carboxylic acid has been reported in Gentiana macrophylla and Gentiana lutea with data available.

CAS Number179457-70-6
PubChem CID5319400
IUPAC Name7-methoxy-2,2-dimethylchromene-6-carboxylic acid
Molecular FormulaC13H14O4
Molecular Weight234.25
XLogP2.3
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity334
SMILES
CC1(C=CC2=CC(=C(C=C2O1)OC)C(=O)O)C
InChI
InChI=1S/C13H14O4/c1-13(2)5-4-8-6-9(12(14)15)11(16-3)7-10(8)17-13/h4-7H,1-3H3,(H,14,15)
InChIKey
WVJWSWIKHOYGHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxyanofinic acid
CAS: 179457-70-6
CID: 5319400
Formula: C13H14O4
MW: 234.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.25
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass234.08920892
Monoisotopic Mass234.08920892
Topological Polar Surface Area55.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity334
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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