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Methyl 2-furoate

CAT: 0931-T8022-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T8022-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
611-13-2
Target
Endogenous Metabolite
Related Pathways
Metabolism
Purity
0.9985
Bioactivity
Methyl 2-furoate (Methyl furan-2-carboxylate) is a natural compound present in cocoa and cocoa products.
Smiles
COC(=O)c1ccco1
Molecular Formula
C6H6O3
Molecular Weight
126.11
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl 2-furoate

Methyl 2-Furancarboxylate is a carboxylic ester. It is functionally related to a 2-furoic acid.

CAS Number611-13-2
PubChem CID11902
IUPAC Namemethyl furan-2-carboxylate
Molecular FormulaC6H6O3
Molecular Weight126.11
XLogP1
Topological Polar Surface Area39.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity111
SMILES
COC(=O)C1=CC=CO1
InChI
InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
InChIKey
HDJLSECJEQSPKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-furoate
CAS: 611-13-2
CID: 11902
Formula: C6H6O3
MW: 126.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.11
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass126.031694049
Monoisotopic Mass126.031694049
Topological Polar Surface Area39.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity111
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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Alternative Products

CatalogName
HY-Y0949-01Methyl 2-furoate
OR916942-01Methyl 5-methyl-2-furoate
OR28732-01Methyl 2-methyl-3-furoate
sc-235734Methyl 3-methyl-2-furoate
HY-Y0949R-01Methyl 2-furoate (Standard)
sc-279403Methyl 5-[ (phenylsulfonyl) methyl]-2-furoate
sc-353852Methyl 3-[ (chlorosulfonyl) methyl]-2-furoate
PPA74454-01Methyl 5-[ (2-bromophenoxy) methyl]-2-furoate
PPA62196-01Methyl 5-[ (2-chlorophenoxy) methyl]-2-furoate
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