2- (Cyclohexyloxy) butanoic acid

CAT: 0926-GCA67473-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-GCA67473-01Size:100 mg

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CAS Number

56674-73-8

MDL Number

MFCD12067172

Smiles

CCC (C (=O) O) OC1CCCCC1

Molecular Formula

C10H18O3

Molecular Weight

186.25 g/mol

Controlled

Chemical Information

2-(Cyclohexyloxy)butanoic acid

CAS Number	56674-73-8
PubChem CID	21114142
IUPAC Name	2-cyclohexyloxybutanoic acid
Molecular Formula	C10H18O3
Molecular Weight	186.25
XLogP	2.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	162

SMILES

CCC(C(=O)O)OC1CCCCC1

InChI

InChI=1S/C10H18O3/c1-2-9(10(11)12)13-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,11,12)

InChIKey

GTJWOEVIXCZUAQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56674-73-8

CID: 21114142

Formula: C10H18O3

MW: 186.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.25
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	186.125594432
Monoisotopic Mass	186.125594432
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	162
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
WCA99554	2- (Cyclohexyloxy) acetic acid
FCA75160-01	2- (Cyclohexyloxy) benzoic acid
NCC76077-01	2- (Cyclohexyloxy) phenylboronic acid
GCA67468-01	2- (Cyclohexyloxy) propanoic acid
UQB35319	2- (Cyclohexyloxy) isonicotinic acid
GCC07587-01	2- (Cyclohexyloxy) -4-methoxybenzoic acid
KAA50025-01	2- (Methoxymethyl) butanoic acid
MCA67540-01	2- (Phenylsulfanyl) butanoic acid
CAA98534-01	2- (Ethoxycarbonyl) butanoic acid
HWB98227-01	2- (Cyclopentyloxy) butanoic acid

Catalog	Name
sc-326706	Cyclohexyloxy-acetic acid
OR962599-01	2- (Cyclohexyloxy) acetic acid
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414138-01	2- (Cyclohexyloxy) phenylboronic acid
OR77686-01	2- (Cyclohexyloxy) benzoic acid
429451-01	4- (Cyclohexyloxy) methylphenylboronic acid
OR1083302	4- (cyclohexyloxy) benzoic acid
OR18621-01	2- (Cyclohexyloxy) isonicotinic acid
OR77408-01	3- (Cyclohexyloxy) benzoic acid
414137-01	2- (Cyclohexyloxy) methylphenylboronic acid