1- (4-Methoxyphenyl) cyclohexanecarboxylic acid

CAT: 0127-OR1002937-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1002937-01Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

7469-83-2

MDL Number

MFCD00001462

Purity

95%

Smiles

COc1ccc(cc1)C2(CCCCC2)C(O)=O

Chemical Information

1-(4-Methoxyphenyl)cyclohexanecarboxylic acid

CAS Number	7469-83-2
PubChem CID	81979
IUPAC Name	1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
Molecular Formula	C14H18O3
Molecular Weight	234.29
XLogP	3.3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	261

SMILES

COC1=CC=C(C=C1)C2(CCCCC2)C(=O)O

InChI

InChI=1S/C14H18O3/c1-17-12-7-5-11(6-8-12)14(13(15)16)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3,(H,15,16)

InChIKey

JKJAJSWMKTWWJS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7469-83-2

CID: 81979

Formula: C14H18O3

MW: 234.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.29
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	234.125594432
Monoisotopic Mass	234.125594432
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	261
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
OR88785-01	Trans-4-Cyano-4-[3- (cyclopentyloxy) -4-methoxyphenyl]cyclohexanecarboxylic acid
OR307149-01	4-Methyl-1-cyclohexanecarboxylic acid
OR1004068-01	1- (4-Chlorophenyl) cyclohexanecarboxylic acid
PC530023-01	1- (4-Fluorophenyl) cyclohexanecarboxylic acid
OR1046711-01	4- (Benzyloxy) cyclohexanecarboxylic acid
OR1011157	4- (Aminomethyl) Cyclohexanecarboxylic Acid
OR1043220-01	4-Phenyl-Cyclohexanecarboxylic Acid
OR77169-01	4- (Bromomethyl) cyclohexanecarboxylic acid
OR936587-01	4- (Hydroxymethyl) cyclohexanecarboxylic acid
OR1011156	4- (Aminomethyl) Cyclohexanecarboxylic Acid

Catalog	Name
sc-273053	1- (4-Methoxyphenyl) cyclohexanecarboxylic acid
sc-348463	4- (trifluoromethyl) cyclohexanecarboxylic acid
TRC-A634908-10G	4-(Aminomethyl)cyclohexanecarboxylic Acid
sc-317023	4-Phenyl-cyclohexanecarboxylic acid
sc-348183	4- (aminocarbonyl) cyclohexanecarboxylic acid
sc-472840	4- (Aminomethyl) cyclohexanecarboxylic Acid
sc-316546	4-Hydroxymethyl-cyclohexanecarboxylic acid
429322-01	4- (Acetylamino) cyclohexanecarboxylic Acid
269531-01	4- (4-Chlorophenyl) cyclohexanecarboxylic acid
FFA30946	4- (Boc-amino) cyclohexanecarboxylic acid