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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 USDMF

1 API Suppliers
1 USDMF

Synopsis

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Chemistry

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Also known as:

Molecular Formula

C₁₀H₈N₂O₄

Molecular Weight

220.18 g/mol

InChI Key

BRKZOASOLMUAQJ-MDZDMXLPSA-N

1 2D Structure

Furildioxime

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[(E)-1,2-bis(furan-2-yl)-2-nitrosoethenyl]hydroxylamine

2.1.2 InChI

InChI=1S/C10H8N2O4/c13-11-9(7-3-1-5-15-7)10(12-14)8-4-2-6-16-8/h1-6,11,13H/b10-9+

2.1.3 InChI Key

BRKZOASOLMUAQJ-MDZDMXLPSA-N

2.1.4 Canonical SMILES

C1=COC(=C1)C(=C(C2=CC=CO2)N=O)NO

2.1.5 Isomeric SMILES

C1=COC(=C1)/C(=C(/C2=CC=CO2)\N=O)/NO

2.2 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₈N₂O₄
Molecular Weight	220.18 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	220.04840674 g/mol
Monoisotopic Mass	220.04840674 g/mol
Topological Polar Surface Area	88 A^2
Heavy Atom Count	16
Formal Charge	0
Complexity	293
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1