Methyl cyclopentanecarboxylate

CAT: 0024-sc-279420Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-279420Size:5 g

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CAS Number

4630-80-2

Chemical Information

Methyl cyclopentanecarboxylate

CAS Number	4630-80-2
PubChem CID	78365
IUPAC Name	methyl cyclopentanecarboxylate
Molecular Formula	C7H12O2
Molecular Weight	128.17
XLogP	1.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	103

SMILES

COC(=O)C1CCCC1

InChI

InChI=1S/C7H12O2/c1-9-7(8)6-4-2-3-5-6/h6H,2-5H2,1H3

InChIKey

IIHIJFJSXPDTNO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4630-80-2

CID: 78365

Formula: C7H12O2

MW: 128.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.17
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	128.083729621
Monoisotopic Mass	128.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	103
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

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Catalog	Name
455886-01	Methyl cyclopentanecarboxylate
454622-01	Methyl 1- (4-fluorophenyl) cyclopentanecarboxylate
OR1013767-01	Methyl 1-Amino-1-Cyclopentanecarboxylate
OR1005067	(1R,2R) -Methyl 2- (4-bromobenzoyl) cyclopentanecarboxylate
OR1038259	Rel-Methyl (1R,3S) -3-[[ (1,1-dimethylethoxy) carbonyl]amino]cyclopentanecarboxylate
OR1098552-01	Phenylmethyl cyclopentanecarboxylate
OR1048109-01	Chloromethyl cyclopentanecarboxylate
OR95589-01	Ethyl cyclopentanecarboxylate
ZDA97803-01	Butyl cyclopentanecarboxylate
OR1061188-01	Tert-Butyl cyclopentanecarboxylate