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NSC107563,92917-44-7, N-(2,6-dimethylphenyl)-N-nitrosoformamide,Canoni

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摘 要:NSC107563,92917-44-7, N-(2,6-dimethylphenyl)-N-nitrosoformamide,Canonical SMILES: CC1=C(C(=CC=C1)C)N(C=O)N=O,InChI: InChI=1/C9H10N2O2/c1-7-4-3-5-8(2)9(7)11(6-12)10-13/h3-6H,1-2H3,Molecular Weight178.1879 [g/mol]Molecular FormulaC9H10N2O2XLogP2.1H-Bon
[Synonyms]
NSC107563
92917-44-7

[Structure]
NSC107563,92917-44-7, N-(2,6-dimethylphenyl)-N-nitrosoformamide,Canoni

[ Properties Computed from Structure]
Molecular Weight178.1879 [g/mol]
Molecular FormulaC9H10N2O2
XLogP2.1
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count1
Exact Mass178.074228
MonoIsotopic Mass178.074228
Topological Polar Surface Area49.7
Heavy Atom Count13
Formal Charge0
Complexity186
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-(2,6-dimethylphenyl)-N-nitrosoformamide
Canonical SMILES: CC1=C(C(=CC=C1)C)N(C=O)N=O
InChI: InChI=1/C9H10N2O2/c1-7-4-3-5-8(2)9(7)11(6-12)10-13/h3-6H,1-2H3

 
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