AG003FDQ

54458-61-6 | 2,3,4,5-Tetramethylcyclopent-2-enone

AG003FDQ

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CAS Number	54458-61-6
Catalog Number	AG003FDQ(AGN-PC-0JKRV9)
Chemical Name	2,3,4,5-Tetramethylcyclopent-2-enone
IUPAC Name	2,3,4,5-tetramethylcyclopent-2-en-1-one
InChI	InChI=1S/C9H14O/c1-5-6(2)8(4)9(10)7(5)3/h5,7H,1-4H3
InChI Key	ARUAYSANQMCCEN-UHFFFAOYSA-N
MDL Number	MFCD00010248
Molecular Formula	C9H14O
Molecular Weight	138.2069
SMILES	CC1C(C)C(C)=C(C)C1=O
Synonyms	54458-61-6, 2,3,4,5-Tetramethylcyclopent-2-enone, 2,3,4,5-Tetramethyl-2-cyclopentenone, 2,3,4,5-tetramethylcyclopent-2-en-1-one, Tetramethylcyclopent-2-enone, 2,3,4,5-TETRAMETHYL-2-CYCLOPENTEN-1-ONE, 2-cyclopenten-1-one, 2,3,4,5-tetramethyl-, ARUAYSANQMCCEN-UHFFFAOYSA-N, 2,3,4,5-tetramethylcyclopentenone, 2,3,4,5-Tetramethyl-2-cyclopentenone, cis + trans, MFCD00010248, AK109505, PubChem15060, ACMC-1ASP4, AC1L251S, SCHEMBL3201480, CTK1H0741, KS-00000PHS, BCP24903, ZX-AT010808, AKOS016009243, CS-W011048, FCH1117939, 2,3,4,5-Tetramethyl-cyclopent-2-enone, AN-40604, AS-20127, BC646151, SY062078, 2.3.4.5-Tetramethylcyclopent-2-en-1-on, RT-004360, 4CH-011183, FT-0609353, ST24021453, Z6097, MFCD00010248 (95%), 2,3,4,5-Tetramethyl-2-cyclopenten-1-one #, J-506860, 2,3,4,5-Tetramethyl-2-cyclopentenone, mixture of cis and trans, 95%, C9H14O, C9-H14-O, CID41092, ZINC02003169, ACN-054516, 2,3,4,5-Tetramethyl-2-cyclopentenone (mixture of cis- and trans-isomers), 97 %, 2,3,4,5-Tetramethyl-2-cyclopentenone, 95%, mixture of cis and trans - 25G 25g,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.104g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	138.21g/mol
Monoisotopic Mass	138.104g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number