AG00FEJB

68227-51-0 | 2-methyl-5-oxo-1-cyclopenten-1-yl butyrate

AG00FEJB

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CAS Number	68227-51-0
Catalog Number	AG00FEJB(AGN-PC-0JLH4H)
Chemical Name	2-methyl-5-oxo-1-cyclopenten-1-yl butyrate
EC Number	269-363-2
FEMA Number	4648
IUPAC Name	(2-methyl-5-oxocyclopenten-1-yl) butanoate
InChI	InChI=1S/C10H14O3/c1-3-4-9(12)13-10-7(2)5-6-8(10)11/h3-6H2,1-2H3
InChI Key	SUJWBOKDKMEAOQ-UHFFFAOYSA-N
MDL Number	MFCD00798052
Molecular Formula	C10H14O3
Molecular Weight	182.2164
SMILES	CCCC(OC1=C(C)CCC1=O)=O
UNII	AQY4Q6ZUD4
Synonyms	68227-51-0, 2-methyl-5-oxocyclopent-1-en-1-yl butyrate, Cyclotene butyrate, 2-Methyl-5-oxo-1-cyclopenten-1-yl butyrate, UNII-AQY4Q6ZUD4, Butanoic acid, 2-methyl-5-oxo-1-cyclopenten-1-yl ester, AQY4Q6ZUD4, 2-Methyl-5-oxo-1-cyclopentenyl Butyrate, Butyric Acid 2-Methyl-5-oxo-1-cyclopentenyl Ester, EINECS 269-363-2, AC1Q5WXA, AC1L36OF, 3-Methyl-2-hydroxy-2-cyclopenten-1-one, butyrate, DTXSID2071289, SCHEMBL18339154, CTK2F5493, SUJWBOKDKMEAOQ-UHFFFAOYSA-N, KS-00000R1Z, ZINC5819613, 0514AC, MFCD00798052, AKOS006271989, DS-5718, AJ-54932, AK119689, AX8245105, ST2417079, (2-methyl-5-oxo-1-cyclopentenyl) butanoate, (2-methyl-5-oxocyclopenten-1-yl) butanoate, FT-0652207, M2486, 2-Methyl-5-oxo-1-cyclopenten-1-yl butyrate #, A836054, I14-6319, (2-methyl-5-oxidanylidene-cyclopenten-1-yl) butanoate, 2-METHYL-5-OXOCYCLOPENT-1-EN-1-YL BUTANOATE, butanoic acid (2-methyl-5-oxo-1-cyclopentenyl) ester, C10H14O3, AR-1E3758, CID109828, C10-H14-O3, 2-Methyl-5-oxocyclopent-1-en-1-ylbutyrate, 69226-99-9,

Complexity	263
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.094g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.219g/mol
Monoisotopic Mass	182.094g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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