Cyclohexanecarboxylic anhydride

CAT: 0127-OR54596Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR54596Size:5 g

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CAS Number

22651-87-2

Purity

>98.0%

Smiles

O=C (OC (=O) C1CCCCC1) C2CCCCC2

Chemical Information

Cyclohexanecarboxylic anhydride

CAS Number	22651-87-2
PubChem CID	89781
IUPAC Name	cyclohexanecarbonyl cyclohexanecarboxylate
Molecular Formula	C14H22O3
Molecular Weight	238.32
XLogP	4.1
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	245

SMILES

C1CCC(CC1)C(=O)OC(=O)C2CCCCC2

InChI

InChI=1S/C14H22O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h11-12H,1-10H2

InChIKey

JOHUAELJNSBTGS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22651-87-2

CID: 89781

Formula: C14H22O3

MW: 238.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.32
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	238.15689456
Monoisotopic Mass	238.15689456
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	245
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
BUP18049	Cyclohexanecarboxylic Acid
OR40331-01	Cyclohexanecarboxylic acid
OR1009107-01	1,2-Cyclohexanedicarboxylic Anhydride
DE2170	Cyclohexanecarboxylic acid-D11
OR931378	Isopropyl-cyclohexanecarboxylic acid
OR1046711-01	4- (Benzyloxy) cyclohexanecarboxylic acid
OR1063266-01	2- (Methoxycarbonyl) cyclohexanecarboxylic acid
OR1011157	4- (Aminomethyl) Cyclohexanecarboxylic Acid
OR1039381-01	3- (Methoxycarbonyl) cyclohexanecarboxylic acid
OR921446	Cyclohexanecarboxylic acid isopropyl ester

Catalog	Name
AR-C08620-01	Cyclohexanecarboxylic Anhydride
269262-01	Cyclohexanecarboxylic acid anhydride
379994	Cyclohexanecarboxylic acid