Ethyl cyclopentanecarboxylate

CAT: 1731-AL BI 0721-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:1731-AL BI 0721-01Size:1 mg

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CAS Number

5453-85-0

MDL Number

MFCD00049160

Purity

0.95

Smiles

CCOC (=O) C1CCCC1

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

Ethyl cyclopentanecarboxylate

CAS Number	5453-85-0
PubChem CID	79550
IUPAC Name	ethyl cyclopentanecarboxylate
Molecular Formula	C8H14O2
Molecular Weight	142.20
XLogP	2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	114

SMILES

CCOC(=O)C1CCCC1

InChI

InChI=1S/C8H14O2/c1-2-10-8(9)7-5-3-4-6-7/h7H,2-6H2,1H3

InChIKey

UWSJCCUODNDXOT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5453-85-0

CID: 79550

Formula: C8H14O2

MW: 142.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.20
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	142.099379685
Monoisotopic Mass	142.099379685
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	114
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
AL MK 0181-01	Ethyl 9-aminononanoate
AL MK 0019-01	Ethyl 4-aminobutanoate
AL BI 0881-01	Ethyl 3-ethenylbenzoate
AL BI 0628-01	Ethyl 2-phenylmethoxyacetate
AK ET C014-01	Ethyl 3-aminohexanoate
AL BW 0065-01	Ethyl 3-aminopropanoate
AK ET C012-01	Ethyl 3-aminobutanoate
GT HW 2101-01	Ethyl 4-formylbenzoate
FH HG 00D1-01	Ethyl 4-acetamidobenzoate
AL BW 0032-01	Ethyl 2-aminoacetate

Catalog	Name
OR95589-01	Ethyl cyclopentanecarboxylate
PC510024	Ethyl cis-2- (4-Fluorobenzylamino) cyclopentanecarboxylate
PC510026	Ethyl (1S,2R) -2- (4-Fluorobenzylamino) cyclopentanecarboxylate
448572-01	Ethyl (1S,2R) -2- (boc-Amino) cyclopentanecarboxylate
448573-01	Ethyl (1S,2R) -2- (cbz-Amino) cyclopentanecarboxylate
448570-01	Ethyl (1R,2S) -2- (cbz-Amino) cyclopentanecarboxylate
448569-01	Ethyl (1R,2S) -2- (boc-amino) cyclopentanecarboxylate
OR1013230	Ethyl Cis-2-Amino-1-Cyclopentanecarboxylate Hydrochloride
PC510025	Ethyl (1R,2S) -2- (4-Fluorobenzylamino) cyclopentanecarboxylate
OR470865	Ethyl (1R,2R) -2-[[ (S) -1-Phenylethyl]amino]cyclopentanecarboxylate