2- (Cyclohexyloxy) -4-methoxybenzoic acid

CAT: 0926-GCC07587-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-GCC07587-01Size:100 mg

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CAS Number

1306075-87-5

MDL Number

MFCD13475648

Smiles

COC1=CC (=C (C=C1) C (=O) O) OC2CCCCC2

Molecular Formula

C14H18O4

Molecular Weight

250.29 g/mol

Controlled

Chemical Information

2-(Cyclohexyloxy)-4-methoxybenzoic acid

CAS Number	1306075-87-5
PubChem CID	61269041
IUPAC Name	2-cyclohexyloxy-4-methoxybenzoic acid
Molecular Formula	C14H18O4
Molecular Weight	250.29
XLogP	3.2
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	273

SMILES

COC1=CC(=C(C=C1)C(=O)O)OC2CCCCC2

InChI

InChI=1S/C14H18O4/c1-17-11-7-8-12(14(15)16)13(9-11)18-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,15,16)

InChIKey

SOLZTTOFXHFKGA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1306075-87-5

CID: 61269041

Formula: C14H18O4

MW: 250.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.29
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	250.12050905
Monoisotopic Mass	250.12050905
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	273
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
AAA13961-01	4- (Cyclohexyloxy) benzoic acid
TBC10858-01	2- (Difluoromethoxy) -4-methoxybenzoic acid
FE66577-01	2-Ethoxy-4-methoxybenzoic acid
VDA42078-01	4- (Dimethylamino) -2-methoxybenzoic acid
IGA08931-01	4- (Hydroxymethyl) -2-methoxybenzoic acid
FA50883-01	2-Amino-4-methoxybenzoic acid
WCA99554	2- (Cyclohexyloxy) acetic acid
FM00503-01	4-Methoxybenzoic acid
FCA75160-01	2- (Cyclohexyloxy) benzoic acid
GCA67473-01	2- (Cyclohexyloxy) butanoic acid

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