α-Oxo-2-furanacetamide

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CAS Number

84522-17-8

Smiles

C (=O) (C (=O) N) c1ccco1

Chemical Information

alpha-Oxo-2-furanacetamide

CAS Number	84522-17-8
PubChem CID	97353
IUPAC Name	2-(furan-2-yl)-2-oxoacetamide
Molecular Formula	C6H5NO3
Molecular Weight	139.11
XLogP	-0.4
Topological Polar Surface Area	73.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	166

SMILES

C1=COC(=C1)C(=O)C(=O)N

InChI

InChI=1S/C6H5NO3/c7-6(9)5(8)4-2-1-3-10-4/h1-3H,(H2,7,9)

InChIKey

NXZIOYYELLCYTE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 84522-17-8

CID: 97353

Formula: C6H5NO3

MW: 139.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	139.11
XLogP3	-0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	139.026943022
Monoisotopic Mass	139.026943022
Topological Polar Surface Area	73.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	166
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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