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

CAT: 0926-JWB97675Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-JWB97675Size:250 mg

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CAS Number

1159976-75-6

MDL Number

MFCD00955505

Smiles

C1C (CC (=O) C (=NO) C1=NO) C2=CC=CC=C2

Molecular Formula

C12H12N2O3

Molecular Weight

232.23 g/mol

Controlled

Chemical Information

2,3-DI(Hydroxyimino)-5-phenylcyclohexan-1-one

CAS Number	1159976-75-6
PubChem CID	135530271
IUPAC Name	2,3-bis(hydroxyimino)-5-phenylcyclohexan-1-one
Molecular Formula	C12H12N2O3
Molecular Weight	232.23
XLogP	1.9
Topological Polar Surface Area	82.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	357

SMILES

C1C(CC(=O)C(=NO)C1=NO)C2=CC=CC=C2

InChI

InChI=1S/C12H12N2O3/c15-11-7-9(8-4-2-1-3-5-8)6-10(13-16)12(11)14-17/h1-5,9,16-17H,6-7H2

InChIKey

UFWIQFLJKIESDI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1159976-75-6

CID: 135530271

Formula: C12H12N2O3

MW: 232.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.23
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	232.08479225
Monoisotopic Mass	232.08479225
Topological Polar Surface Area	82.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	357
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	2
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
QBA34547	2,3-di (hydroxyimino) -5,5-dimethylcyclohexan-1-one
KCA74175-01	3-Methyl-5-phenylcyclohexan-1-one
EFC31960-01	3-Methyl-5-phenylcyclohexan-1-amine
UAA99243-01	3-Phenylcyclohexan-1-amine
NDA95899-01	2-Methyl-4-phenylcyclohexan-1-one
DXC60545-01	2-Methoxy-4-phenylcyclohexan-1-one
DXC60867-01	3-Methyl-5-phenylcyclohexan-1-amine hydrochloride
EAA55192-01	2- (Ethylamino) -2-phenylcyclohexan-1-one, hydrochloride
FD161471-01	4- (Dimethylamino) -4-phenylcyclohexan-1-one
BCA17173-01	4-Hydroxy-4-phenylcyclohexan-1-one

Catalog	Name
OR84245-01	(E) -3- (Hydroxyimino) -5-methylindolin-2-one
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GTR19279042-01	(5E) -5- (hydroxyimino) -3-methyl-2,5-dihydro-1H-pyrrol-2-one
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