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[2,2']-Furildioxime monohydrate

CAT: 0024-sc-256274Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-256274Size:500 mg
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CAS Number
6035-71-8

Chemical Information

alpha Furildioxime
CAS Number6035-71-8
PubChem CID136263284
IUPAC NameN-[1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine;hydrate
Molecular FormulaC10H10N2O5
Molecular Weight238.20
Topological Polar Surface Area92.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity273
SMILES
C1=COC(=C1)C(=NO)C(=NO)C2=CC=CO2.O
InChI
InChI=1S/C10H8N2O4.H2O/c13-11-9(7-3-1-5-15-7)10(12-14)8-4-2-6-16-8;/h1-6,13-14H;1H2
InChIKey
DCWNKEASSHNEIR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha Furildioxime
CAS: 6035-71-8
CID: 136263284
Formula: C10H10N2O5
MW: 238.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.20
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass238.05897142
Monoisotopic Mass238.05897142
Topological Polar Surface Area92.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity273
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count2
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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