AG003791

4341-24-6 | 5-METHYLCYCLOHEXANE-1,3-DIONE

AG003791

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CAS Number	4341-24-6
Catalog Number	AG003791(AGN-PC-0JRGFB)
Chemical Name	5-METHYLCYCLOHEXANE-1,3-DIONE
IUPAC Name	5-methylcyclohexane-1,3-dione
InChI	InChI=1S/C7H10O2/c1-5-2-6(8)4-7(9)3-5/h5H,2-4H2,1H3
InChI Key	DMIIMPQQPXUKOO-UHFFFAOYSA-N
MDL Number	MFCD00010379
Molecular Formula	C7H10O2
Molecular Weight	126.1531
SMILES	CC1CC(CC(C1)=O)=O
Synonyms	5-methylcyclohexane-1,3-dione, 4341-24-6, 5-Methyl-1,3-cyclohexanedione, 1,3-cyclohexanedione, 5-methyl-, 5-Methyl-cyclohexane-1,3-dione, DMIIMPQQPXUKOO-UHFFFAOYSA-N, MFCD00010379, PubChem14279, ACMC-1AFTB, AC1L9XRL, 5-Methylcyclohexane dione, SCHEMBL351712, 1,3-Dioxo-5-methylcyclohexane, 1,3-Cyclohexanedione,5-methyl-, 5- methyl-1,3-cyclohexanedione, 5-methyl-1,3-cyclohexane-dione, CTK4I7322, DTXSID30332467, EBD25710, KS-00000UL1, ANW-29986, BBL036984, SBB042020, STK728987, AKOS000270511, ZINC100007080, 5-Methyl-1,3-cyclohexanedione, 98%, LS40106, MCULE-9077952779, RP00820, AK-44832, AS-18362, BR-44832, SC-26551, SY027841, AB0024912, DB-051078, ST2406320, TC-118731, FT-0620648, M0945, ST50215703, W6275, MFCD00010379 (95%), S-3147, A826274, AC-907/25014355, J-517806, I14-51152, InChI=1/C7H10O2/c1-5-2-6(8)4-7(9)3-5/h5H,2-4H2,1H, C7H10O2, AIDS017592, CID458095, ACN-051333, 5-Methylcyclohexane-1,3-dione, 98% 1g, C2999, 5-Methyl-1,3-cyclohexanedione, 98% - 25G 25g, 70150-66-2,

Complexity	133
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.068g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	126.155g/mol
Monoisotopic Mass	126.068g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
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

Lot Number