Cyclohexyl-3-pyridinylmethanone

CAT: 0127-OR1093055-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1093055-01Size:250 mg

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CAS Number

60148-00-7

MDL Number

MFCD12153275

Purity

95%

Smiles

C (=O) (C1CCCCC1) c1cccnc1

Chemical Information

Methanone, cyclohexyl-3-pyridinyl-

CAS Number	60148-00-7
PubChem CID	12281339
IUPAC Name	cyclohexyl(pyridin-3-yl)methanone
Molecular Formula	C12H15NO
Molecular Weight	189.25
XLogP	2.5
Topological Polar Surface Area	30
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	196

SMILES

C1CCC(CC1)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C12H15NO/c14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11/h4,7-10H,1-3,5-6H2

InChIKey

SDAFBHAGZHYODJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60148-00-7

CID: 12281339

Formula: C12H15NO

MW: 189.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.25
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	189.115364102
Monoisotopic Mass	189.115364102
Topological Polar Surface Area	30 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	196
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
Compound Is Canonicalized	Yes

Catalog	Name
OR1093156	(3-Chlorophenyl) -3-pyridinylmethanone
OR1093009	(3-Methylphenyl) -3-pyridinylmethanone
PC1021966	(3-Fluorophenyl) -3-pyridinylmethanone
OR1093949	(3-Bromophenyl) -3-pyridinylmethanone
OR1084139-01	(3-Ethylphenyl) -2-pyridinylmethanone
OR1101253-01	2-Benzofuranyl-3-pyridinylmethanone
PC1009186-01	(3-Fluorophenyl) -4-pyridinylmethanone
OR1098337	(3-Methylphenyl) -2-pyridinylmethanone
OR1094776	(3-Iodophenyl) -2-pyridinylmethanone
OR1092806-01	(3-Methylphenyl) -4-pyridinylmethanone

Catalog	Name
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