Trans-4- (Hydroxymethyl) cyclohexanecarboxylic Acid

CAT: 0024-sc-484994Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-484994Size:1 g

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CAS Number

66185-74-8

Chemical Information

Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-

CAS Number	66185-74-8
PubChem CID	202819
IUPAC Name	4-(hydroxymethyl)cyclohexane-1-carboxylic acid
Molecular Formula	C8H14O3
Molecular Weight	158.19
XLogP	0.5
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	136

SMILES

C1CC(CCC1CO)C(=O)O

InChI

InChI=1S/C8H14O3/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7,9H,1-5H2,(H,10,11)

InChIKey

VQMIUUBKKPIDBN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66185-74-8

CID: 202819

Formula: C8H14O3

MW: 158.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.19
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	158.094294304
Monoisotopic Mass	158.094294304
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136
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
sc-316546	4-Hydroxymethyl-cyclohexanecarboxylic acid
sc-484993	Cis-4- (Hydroxymethyl) cyclohexanecarboxylic Acid
sc-272646	Trans-4-Amino-cyclohexanecarboxylic acid
sc-391149	Trans-4- (Trifluoromethyl) cyclohexanecarboxylic Acid
sc-501201	Trans-4- (4-Chlorophenyl) cyclohexanecarboxylic Acid
sc-229520	Trans-4-Methyl-1-cyclohexanecarboxylic acid
sc-296565	Trans-2- (4-Methyl-benzoyl) -cyclohexanecarboxylic acid
sc-296565A	Trans-2- (4-Methyl-benzoyl) -cyclohexanecarboxylic acid
sc-272664	Trans-4-N-Boc-aminomethyl-cyclohexanecarboxylic acid
sc-226442	4- (Trifluoromethyl) cyclohexanecarboxylic acid, mixture of cis and trans

Catalog	Name
OR919237-01	Trans-4- (hydroxymethyl) cyclohexanecarboxylic acid
OR936587-01	4- (Hydroxymethyl) cyclohexanecarboxylic acid
OR938498-01	Cis-4- (hydroxymethyl) cyclohexanecarboxylic acid
II72042-01	Trans-trans-4,4'-Iminodimethylenedi (cyclohexanecarboxylic acid)
OR1015277-01	Trans-4- (Trans-4-Butylcyclohexyl) Cyclohexanecarboxylic Acid
IA71533-01	Trans-4- (Aminomethyl) cyclohexanecarboxylic acid
JH463046	Trans-4-methoxy-cyclohexanecarboxylic acid
290356-01	Trans-4- (Trifluoromethyl) cyclohexanecarboxylic acid
BIBP1025-01	Trans-4- (azidomethyl) cyclohexanecarboxylic acid
OR917890	Trans-4- (acetamidomethyl) cyclohexanecarboxylic acid