2,3-di (hydroxyimino) -5,5-dimethylcyclohexan-1-one

CAT: 0926-QBA34547Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-QBA34547Size:250 mg

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CAS Number

40345-47-9

MDL Number

MFCD00955500

Smiles

CC1 (CC (=NO) C (=NO) C (=O) C1) C

Molecular Formula

C8H12N2O3

Molecular Weight

184.19 g/mol

Controlled

Chemical Information

2,3-Bis(hydroxyimino)-5,5-dimethylcyclohexan-1-one

CAS Number	40345-47-9
PubChem CID	135447957
IUPAC Name	2,3-bis(hydroxyimino)-5,5-dimethylcyclohexan-1-one
Molecular Formula	C8H12N2O3
Molecular Weight	184.19
XLogP	1.4
Topological Polar Surface Area	82.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	292

SMILES

CC1(CC(=NO)C(=NO)C(=O)C1)C

InChI

InChI=1S/C8H12N2O3/c1-8(2)3-5(9-12)7(10-13)6(11)4-8/h12-13H,3-4H2,1-2H3

InChIKey

YFSCVZVLHXMHFB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40345-47-9

CID: 135447957

Formula: C8H12N2O3

MW: 184.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.19
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	184.08479225
Monoisotopic Mass	184.08479225
Topological Polar Surface Area	82.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	292
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	2
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
JWB97675	2,3-di (hydroxyimino) -5-phenylcyclohexan-1-one
NAA39576-01	2,3-Dimethylcyclohexan-1-one
AAA82355-01	2,4-Dimethylcyclohexan-1-one
GHA65390-01	3- (Hydroxyimino) -5-methyl-2,3-dihydro-1H-indol-2-one
ZAC94821	2- ((4-fluorophenyl) diazenyl) -3- (hydroxyimino) -5,5-dimethylcyclohex-1-en-1-ol
ARB12547	2- (((4- ((hydroxyimino) ethyl) phenyl) amino) methylene) -5,5-dimethylcyclohexane-1,3-dione
MBA69443-01	3,3-Dimethylcyclohexan-1-amine
FPD80721-01	5,5-Difluoro-2,2-dimethylcyclohexan-1-amine hydrochloride
ZQB71658	3- ((4- ((hydroxyimino) ethyl) phenyl) imino) -5-bromoindolin-2-one
AAA76712-01	3,3-Dimethylcyclohexan-1-ol

Catalog	Name
OR84245-01	(E) -3- (Hydroxyimino) -5-methylindolin-2-one
AQ A2 0066-01	(NZ) -N-[ (5Z) -5-hydroxyimino-3-[ (2E) -2-hydroxyimino-2-phenylethyl]-1,5-diphenylpentylidene]hydroxylamine
OR1002136-01	5-Hydroxyimino-3-methyl-1,2-dihydro-3-benzazepin-4-one
GTR19279042-01	(5E) -5- (hydroxyimino) -3-methyl-2,5-dihydro-1H-pyrrol-2-one
H9090-25	Ethyl 5-Hydroxyimino-5- (3-pyridyl) -pentanoate (5-Hydroxyimino-5- (3-pyridyl) -pentanoic Acid, Ethyl Ester)
OR29188	4-hydroxyimino-1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one
MBS6095589-01	Ethyl 5-Hydroxyimino-5-(3-pyridyl)-pentanoate (5-Hydroxyimino-5-(3-pyridyl)-pentanoic Acid, Ethyl Ester)
OR1075221	N- (3,5-Difluorophenyl) -2- (hydroxyimino) acetamide
sc-347498	(3Z) -3- (hydroxyimino) -5-methoxy-2,3-dihydro-1H-indol-2-one
013586	5- (Hydroxyimino) -1,3,3-trimethyl-cyclohexanecarbonitrile-d5