5-Cyclohexyl-2-methoxybenzoic acid

CAT: 0127-OR1080292-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1080292-01Size:250 mg

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CAS Number

106596-75-2

MDL Number

MFCD26525552

Purity

95%

Smiles

C1c (ccc (c1C (=O) O) OC) C1CCCCC1

Chemical Information

5-Cyclohexyl-2-methoxybenzoic acid

CAS Number	106596-75-2
PubChem CID	83841517
IUPAC Name	5-cyclohexyl-2-methoxybenzoic acid
Molecular Formula	C14H18O3
Molecular Weight	234.29
XLogP	4
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	258

SMILES

COC1=C(C=C(C=C1)C2CCCCC2)C(=O)O

InChI

InChI=1S/C14H18O3/c1-17-13-8-7-11(9-12(13)14(15)16)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,15,16)

InChIKey

UCQUHFPYCZTJPS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 106596-75-2

CID: 83841517

Formula: C14H18O3

MW: 234.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.29
XLogP3	4
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	258
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
OR1094168-01	5- (Benzyloxy) -2-methoxybenzoic acid
OR1093469	5-Acetyl-2-methoxybenzoic acid
PC0292-01	5-Fluoro-2-methoxybenzoic acid
OR21216	2-Cyano-5-methoxybenzoic acid
OR77415-01	5-Hydroxy-2-methoxybenzoic acid
OR28590	2-Bromo-5-methoxybenzoic acid
OR70155-01	5-Amino-2-methoxybenzoic acid
OR70056	5-Bromo-2-methoxybenzoic acid
OR1094283-01	5-Isopropoxy-2-methoxybenzoic acid
OR1093446	5-Isopropyl-2-methoxybenzoic acid

Catalog	Name
BCA90491	5-Chlorosulfonyl-2-methoxybenzoic acid
FA55691-01	5-Amino-2-methoxybenzoic acid
436073-01	5-Chloro-2-methoxybenzoic Acid
TRC-B685110-5G	2-Bromo-5-methoxybenzoic Acid
sc-350282	5- (chlorosulfonyl) -2-methoxybenzoic acid
sc-274560	2-Chloro-5-methoxybenzoic acid
TRC-H855035-500MG	5-Hydroxy-2-methoxybenzoic acid
TRC-C142650-250MG	2-(Carboxymethyl)-5-methoxybenzoic Acid
54413-93-3-01	2-Iodo-5-methoxybenzoic acid
JDA92371-01	5-cyano-2-methoxybenzoic acid