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5-Methylfuran-2-carboxamide

CAT: 0127-OR1037500-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1037500-01Size:250 mg
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CAS Number
99968-74-8
MDL Number
MFCD01921939
Purity
98%
Smiles
O=C(C1=CC=C(C)O1)N

Chemical Information

5-Methylfuran-2-carboxamide
CAS Number99968-74-8
PubChem CID5166334
IUPAC Name5-methylfuran-2-carboxamide
Molecular FormulaC6H7NO2
Molecular Weight125.13
XLogP0.6
Topological Polar Surface Area56.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity124
SMILES
CC1=CC=C(O1)C(=O)N
InChI
InChI=1S/C6H7NO2/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H2,7,8)
InChIKey
HTLIXYXARPLOIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methylfuran-2-carboxamide
CAS: 99968-74-8
CID: 5166334
Formula: C6H7NO2
MW: 125.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight125.13
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass125.047678466
Monoisotopic Mass125.047678466
Topological Polar Surface Area56.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity124
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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