AG003Q8H

5400-79-3 | Ethyl 3-oxocyclopentanecarboxylate

AG003Q8H

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CAS Number	5400-79-3
Catalog Number	AG003Q8H(AGN-PC-05RDN9)
Chemical Name	Ethyl 3-oxocyclopentanecarboxylate
IUPAC Name	ethyl 3-oxocyclopentane-1-carboxylate
InChI	InChI=1S/C8H12O3/c1-2-11-8(10)6-3-4-7(9)5-6/h6H,2-5H2,1H3
InChI Key	VGJWAMLZUUGEQY-UHFFFAOYSA-N
MDL Number	MFCD01320352
Molecular Formula	C8H12O3
Molecular Weight	156.1791
NSC Number	10387
SMILES	O=C(C1CC(CC1)=O)OCC
Synonyms	ethyl 3-oxocyclopentanecarboxylate, 5400-79-3, ethyl 3-oxocyclopentane-1-carboxylate, 3-Oxo-cyclopentanecarboxylic acid ethyl ester, Cyclopentanecarboxylic acid, 3-oxo-, ethyl ester, MLS002638139, 3-oxocyclopentanecarboxylic acid ethyl ester, NSC10387, AC1L5CBW, AC1Q6EJF, SCHEMBL337445, CHEMBL1899442, CTK4J9296, DTXSID50278873, VGJWAMLZUUGEQY-UHFFFAOYSA-N, HMS3080J09, BCP18651, KS-000005JA, ANW-46361, CE-424, MFCD01320352, NSC-10387, WT1264, AKOS006278412, CS-W001588, ethyl-3-oxo-cyclopentane-1-carboxylate, QC-9924, TRA0021315, AC-29361, AK-86296, DS-18158, SC-65312, SMR001547629, SY020769, AB0025377, DB-071771, TR-033083, 3-oxocyclopentane carboxylic acid ethyl ester, 4CH-001961, AM20120572, BB 0261219, FT-0709594, ST24030575, W6832, 5400-79-3 ethyl 3-oxocyclopentanecarboxylate, Cyclopentanecarboxylicacid, 3-oxo-, ethyl ester, O57081, MFCD01320352 (97+%), I04-4071, F9994-6554, 3-Oxo-cyclopentanecarboxylic acid ethyl ester, AldrichCPR, C8H12O3, Methyl 3-oxocyclopentanecarboxylate, AR-1I8908, CID223136, ACN-045013, 3-oxo-cyclopentanecarboxylicacidethylester, C2176, S-7878, 32811-75-9, 6132-27-0,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.079g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	156.181g/mol
Monoisotopic Mass	156.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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