AG0025LM

17790-74-8 | Ethyl 2-Methyl-4-Oxocyclopent-2-Ene-1-Carboxylate

AG0025LM

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CAS Number	17790-74-8
Catalog Number	AG0025LM(AGN-PC-006Z6U)
Chemical Name	Ethyl 2-Methyl-4-Oxocyclopent-2-Ene-1-Carboxylate
IUPAC Name	ethyl 2-methyl-4-oxocyclopent-2-ene-1-carboxylate
InChI	InChI=1S/C9H12O3/c1-3-12-9(11)8-5-7(10)4-6(8)2/h4,8H,3,5H2,1-2H3
InChI Key	FIOFMYNFIRAGTI-UHFFFAOYSA-N
MDL Number	MFCD24688643
Molecular Formula	C9H12O3
Molecular Weight	168.1898
SMILES	O=C(C1C(C)=CC(C1)=O)OCC
Synonyms	17790-74-8, ethyl 2-methyl-4-oxocyclopent-2-enecarboxylate, ethyl 2-methyl-4-oxocyclopent-2-ene-1-carboxylate, 2-Methyl-4-oxocyclopent-2-enecarboxylic acid ethyl ester, 2-Cyclopentene-1-carboxylic acid, 2-methyl-4-oxo-, ethyl ester, SCHEMBL1536093, 2-Cyclopentene-1-carboxylicacid,2-methyl-4-oxo-,ethylester, FIOFMYNFIRAGTI-UHFFFAOYSA-N, MFCD24688643, AKOS026744814, ACN-052888, MCULE-8478911859, NE17140, Z1795826660, 2-methyl-4-oxo-cyclopent-2-enecarboxylic acid ethyl ester, 2-Methyl-4-oxo-2-cyclopentene-1-carboxylic acid ethyl ester, CID11332690, Ethyl 2-methyl-4-oxo-cyclopent-2-ene-1-carboxylate,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.192g/mol
Monoisotopic Mass	168.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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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