Trans-4-Butylcyclohexanecarboxylic acid

CAT: 0127-OR912272-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR912272-01Size:25 g

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CAS Number

38289-28-0

MDL Number

MFCD00059560

Purity

98%

Smiles

CCCC[C@@H]1CC[C@H](CC1)C(=O)O

Chemical Information

4-Butylcyclohexanecarboxylic Acid (cis-and trans-mixture)

CAS Number	38289-28-0
PubChem CID	2060518
IUPAC Name	4-butylcyclohexane-1-carboxylic acid
Molecular Formula	C11H20O2
Molecular Weight	184.27
XLogP	3.7
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	157

SMILES

CCCCC1CCC(CC1)C(=O)O

InChI

InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)

InChIKey

BALGERHMIXFENA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 38289-28-0

CID: 2060518

Formula: C11H20O2

MW: 184.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.27
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	184.146329876
Monoisotopic Mass	184.146329876
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	157
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
OR912532-01	Trans-4-tert-butylcyclohexanecarboxylic acid
OR911645-01	4-Butylcyclohexanecarboxylic acid
OR930649-01	4-tert-Butylcyclohexanecarboxylic acid
OR936255-01	Cis-4-tert-butylcyclohexanecarboxylic acid
OR1015277-01	Trans-4- (Trans-4-Butylcyclohexyl) Cyclohexanecarboxylic Acid
OR1066476-01	Trans-4-Phenylcyclohexanecarboxylic acid
OR6578	Trans-4-Chlorocinnamic acid
OR1038021-01	Trans-4-Methoxycyclohexanecarboxylic acid
OR911376-01	Trans-4-isopropylcyclohexanecarboxylic acid
OR1015285-01	Trans-4-Cyanocyclohexanecarboxylic Acid

Catalog	Name
TRC-T705168-50MG	trans-4-Butylcyclohexanecarboxylic Acid
sc-485096	Trans-4-tert-Butylcyclohexanecarboxylic Acid
264458-01	4-Butylcyclohexanecarboxylic Acid (cis- and trans- mixture)
sc-290099	4-butylcyclohexanecarboxylic acid
433450-01	4-tert-Butylcyclohexanecarboxylic Acid
sc-484641	Cis-4-tert-Butylcyclohexanecarboxylic Acid
JH919930	Trans-trans-4,4'-iminodimethylenedi (cyclohexanecarboxylic acid)
B6341-50	trans-4-Hydroxycrotonic acid
TRC-H826900-1G	trans-4-Hydroxycyclohexylcarboxylic Acid
267610-01	Trans-4-Coumaric acid