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FMHM

CAT: 0013-GTR19194541-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194541-03Size:100 mg
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Description
FMHM
CAS Number
1426543-96-5
Smiles
C (OC (C (CCO) =C) =O) C=1OC (C=O) =CC1
Molecular Formula
C11H12O5
Molecular Weight
224.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(5-Formylfuran-2-yl)methyl 4-hydroxy-2-methylenebutanoate

has anti-neuroinflammatory activity; isolated from the roots of Polygala tricornis; structure in first source

CAS Number1426543-96-5
PubChem CID72694197
IUPAC Name(5-formylfuran-2-yl)methyl 4-hydroxy-2-methylidenebutanoate
Molecular FormulaC11H12O5
Molecular Weight224.21
XLogP0.7
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count16
Formal Charge0
Complexity274
SMILES
C=C(CCO)C(=O)OCC1=CC=C(O1)C=O
InChI
InChI=1S/C11H12O5/c1-8(4-5-12)11(14)15-7-10-3-2-9(6-13)16-10/h2-3,6,12H,1,4-5,7H2
InChIKey
DVEBNONPNBAGBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (5-Formylfuran-2-yl)methyl 4-hydroxy-2-methylenebutanoate
CAS: 1426543-96-5
CID: 72694197
Formula: C11H12O5
MW: 224.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.21
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass224.06847348
Monoisotopic Mass224.06847348
Topological Polar Surface Area76.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity274
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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