Methyl 2- (3-methoxycyclohexyl) acetate

CAT: 0926-PUB55412-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-PUB55412-01Size:50 mg

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CAS Number

1114554-12-9

MDL Number

MFCD28402811

Smiles

COC1CCCC (C1) CC (=O) OC

Molecular Formula

C10H18O3

Molecular Weight

186.25 g/mol

Controlled

Chemical Information

Methyl 2-(3-methoxycyclohexyl)acetate

CAS Number	1114554-12-9
PubChem CID	12739773
IUPAC Name	methyl 2-(3-methoxycyclohexyl)acetate
Molecular Formula	C10H18O3
Molecular Weight	186.25
XLogP	1.6
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	168

SMILES

COC1CCCC(C1)CC(=O)OC

InChI

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

InChIKey

FSYVTIKHPHNOLA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1114554-12-9

CID: 12739773

Formula: C10H18O3

MW: 186.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.25
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	186.125594432
Monoisotopic Mass	186.125594432
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	168
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
SDC67375-01	Methyl 2-amino-2- (3-methoxycyclohexyl) acetate
DXC57114-01	Ethyl 2- (3-methoxycyclohexyl) acetate
HCA06978-01	Methyl 2- (2-methyl-3-oxocyclopentyl) acetate
LIC70930-01	2- (4-Methoxycyclohexyl) acetonitrile
SFA32744-01	Methyl 2- (3-Formylphenyl) acetate
LDA57686-01	Methyl 2- (3-hydroxycyclohexyl) acetate
IGA19647-01	Methyl 2- (3-aminophenoxy) acetate
FUB66534-01	Methyl 2- (3-oxetanylidene) acetate
QJB70753-01	Methyl 2- (3-bromobenzenesulfonyl) acetate
YVB13013-01	Methyl 2- (3-hydroxycyclobutyl) acetate

Catalog	Name
282426-01	Methyl indole-3-acetate
454578-01	Methyl (3-cyanophenyl) acetate
OR92937-01	Methyl 3-carbamimidoylbenzoate acetate
sc-357386	Methyl 3-hydroxyphenyl acetate
OR957569	(3-Hydroxyphenyl) methyl acetate
283727-01	Methyl 2- (3-bromophenyl) acetate
sc-263548	Methyl 3- (trifluoromethyl) benzoyl acetate
sc-263485A	Methyl 2- (3-methoxyphenyl) acetate
OR304368-01	Methyl 2- (3-hydroxycyclobutyl) acetate
OR29654-01	Methyl 2- (3-thienyl) acetate