MolPort-001-781-518

Synopsis, Chemistry

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Also known as:

Molecular Formula

C₆H₁₀N₂O₂

Molecular Weight

142.16 g/mol

InChI Key

IGRLVVLCDUAJSB-UHFFFAOYSA-N

1 2D Structure

MolPort-001-781-518

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(2-nitrosocyclohexen-1-yl)hydroxylamine

2.1.2 InChI

InChI=1S/C6H10N2O2/c9-7-5-3-1-2-4-6(5)8-10/h7,9H,1-4H2

2.1.3 InChI Key

IGRLVVLCDUAJSB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCC(=C(C1)NO)N=O

2.2 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₀N₂O₂
Molecular Weight	142.16 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	142.074227566 g/mol
Monoisotopic Mass	142.074227566 g/mol
Topological Polar Surface Area	61.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	165
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