Ethyl 2- (3-methoxycyclohexyl) acetate

CAT: 0926-DXC57114-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-DXC57114-01Size:50 mg

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CAS Number

1803571-14-3

MDL Number

MFCD28125070

Smiles

CCOC (=O) CC1CCCC (C1) OC

Molecular Formula

C11H20O3

Molecular Weight

200.27 g/mol

Controlled

Chemical Information

Ethyl 2-(3-methoxycyclohexyl)acetate

CAS Number	1803571-14-3
PubChem CID	85920795
IUPAC Name	ethyl 2-(3-methoxycyclohexyl)acetate
Molecular Formula	C11H20O3
Molecular Weight	200.27
XLogP	2
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	179

SMILES

CCOC(=O)CC1CCCC(C1)OC

InChI

InChI=1S/C11H20O3/c1-3-14-11(12)8-9-5-4-6-10(7-9)13-2/h9-10H,3-8H2,1-2H3

InChIKey

PZGQPIICZWXACX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1803571-14-3

CID: 85920795

Formula: C11H20O3

MW: 200.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.27
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	200.14124450
Monoisotopic Mass	200.14124450
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	179
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PUB55412-01	Methyl 2- (3-methoxycyclohexyl) acetate
SDC67375-01	Methyl 2-amino-2- (3-methoxycyclohexyl) acetate
REA53084-01	Ethyl 2- (3-methylcyclohexyl) acetate
FCA19725	Ethyl 2- (3-cyanophenoxy) acetate
NFA13914	Ethyl 2- (3-bromophenoxy) acetate
RQB84147-01	Ethyl 2- (3-carbamothioylphenoxy) acetate
QCB99522-01	2- (3-Aminophenyl) ethyl acetate
PAA31864	Ethyl 2- (3-nitrophenyl) acetate
VGA91691-01	Ethyl 2- (3-acetylphenoxy) acetate
KIA11391-01	Ethyl 2- (3-cyanophenyl) acetate

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