4-Hydroxy-4- (propan-2-yl) cyclohexan-1-one

CAT: 0926-HBA93669-02Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-HBA93669-02Size:0.5 g

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CAS Number

32936-69-9

MDL Number

MFCD21321200

Smiles

CC (C) C1 (CCC (=O) CC1) O

Molecular Formula

C9H16O2

Molecular Weight

156.22 g/mol

Controlled

Chemical Information

4-Hydroxy-4-(propan-2-yl)cyclohexan-1-one

CAS Number	32936-69-9
PubChem CID	58641594
IUPAC Name	4-hydroxy-4-propan-2-ylcyclohexan-1-one
Molecular Formula	C9H16O2
Molecular Weight	156.22
XLogP	0.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	151

SMILES

CC(C)C1(CCC(=O)CC1)O

InChI

InChI=1S/C9H16O2/c1-7(2)9(11)5-3-8(10)4-6-9/h7,11H,3-6H2,1-2H3

InChIKey

BLPCNBBOCLLRDL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32936-69-9

CID: 58641594

Formula: C9H16O2

MW: 156.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.22
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	156.115029749
Monoisotopic Mass	156.115029749
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151
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
YGC03261-01	4-Hydroxy-4-[4- (propan-2-yl) phenyl]cyclohexan-1-one
BAA53819-01	3-Methyl-4- (propan-2-yl) cyclohexan-1-one
HKC04947-01	4-[3- (Propan-2-yl) azetidin-1-yl]cyclohexan-1-one
ZNC56926-01	4-[3- (Propan-2-yl) pyrrolidin-1-yl]cyclohexan-1-one
VEA92990-01	4-Hydroxy-4- (trifluoromethyl) cyclohexan-1-one
XAA90008-01	(1S,4S) -4- (Propan-2-yl) cyclohexan-1-ol
CBA09766-01	2-Hydroxy-1- (morpholin-4-yl) propan-1-one
IAC65091-01	2- (Propan-2-yl) -N-[2- (propan-2-yl) cyclohexyl]cyclohexan-1-amine
NAA65684-01	4- (Propan-2-yl) cycloheptan-1-one
APD14715-01	4-Amino-1- (propan-2-yl) cyclohexan-1-ol hydrochloride

Catalog	Name
OR87300-01	4-Hydroxy-4-[5- (pyrimidin-2-yl) pyridin-2-yl]cyclohexan-1-one
OR1003579-01	4- (Pyrazin-2-yl) cyclohexan-1-one
RG-C092041-01	4- (pyridin-4-yl) cyclohexan-1-one
GTR19271614-01	1-hydroxy-1- (4-methoxyphenyl) propan-2-yl 4-methoxybenzoate
OR85571-01	4- (Pyrrolidin-1-yl) cyclohexan-1-one
PC109276	4- (4-Fluoro-2,3-dihydroindol-1-yl) cyclohexan-1-one
OR22408	1- (2-hydroxy-4-nitrophenyl) propan-1-one
MBS5761177	1-Hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one
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