AG002JLR

20826-94-2 | Cyclopentaneacetic acid, 2-oxo-, ethyl ester

AG002JLR

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CAS Number	20826-94-2
Catalog Number	AG002JLR(AGN-PC-0K2UJO)
Chemical Name	Cyclopentaneacetic acid, 2-oxo-, ethyl ester
IUPAC Name	ethyl 2-(2-oxocyclopentyl)acetate
InChI	InChI=1S/C9H14O3/c1-2-12-9(11)6-7-4-3-5-8(7)10/h7H,2-6H2,1H3
InChI Key	PJMKFKUFBDXYEC-UHFFFAOYSA-N
MDL Number	MFCD00044715
Molecular Formula	C9H14O3
Molecular Weight	170.2057
SMILES	O=C(OCC)CC1C(CCC1)=O
Synonyms	20826-94-2, Ethyl 2-oxocyclopentylacetate, ethyl 2-(2-oxocyclopentyl)acetate, Ethyl 2-Oxocyclopentaneacetate, ethyl (2-oxocyclopentyl)acetate, Cyclopentaneacetic acid, 2-oxo-, ethyl ester, MFCD00044715, 2-Oxocyclopentaneacetic acid ethyl ester, Ethyl 2-oxocyclopentylacetate, 95%, PubChem23864, AC1MC3C9, KSC201Q9P, SCHEMBL1254599, Ethyl(2-oxo-cyclopentyl)acetate, CTK1A1897, DTXSID50369078, PJMKFKUFBDXYEC-UHFFFAOYSA-N, ehtyl 2-(2-oxocyclopentyl)acetate, ethyl-2-(2-oxocyclopentyl)acetate, 2-carbethoxymethylcyclopentan-1-one, ACT02957, KS-00000N7C, ANW-47109, 2-(Ethoxycarbonylmethyl)cyclopentanone, AKOS000283806, AKOS016842417, 2-Oxocyclopentylacetic acid ethyl ester, CS-W008633, RTC-030153, AK-48019, AS-17465, BR-48019, SC-23852, AB0019758, AB1008652, DB-007482, ST2419296, TC-030153, 2-(2-Oxocyclopentyl)acetic Acid Ethyl Ester, 4CH-015300, E0943, FT-0082421, FT-0625802, ST50308229, V0243, M-2816, 826E942, 1,3-Dithiole-2-thione, C9H14O3, ZINC01081513, CID2723663, Ethyl 2-oxocyclopentylacetate, 95% - 1G 1g,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.094g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.208g/mol
Monoisotopic Mass	170.094g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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