AG003KFO

562-46-9 | 4,4-Dimethyl-1,3-cyclohexanedione

AG003KFO

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CAS Number	562-46-9
Catalog Number	AG003KFO(AGN-PC-0JMOTA)
Chemical Name	4,4-Dimethyl-1,3-cyclohexanedione
IUPAC Name	4,4-dimethylcyclohexane-1,3-dione
InChI	InChI=1S/C8H12O2/c1-8(2)4-3-6(9)5-7(8)10/h3-5H2,1-2H3
InChI Key	PLGPBTCNKJQJHQ-UHFFFAOYSA-N
MDL Number	MFCD00075224
Molecular Formula	C8H12O2
Molecular Weight	140.1797
SMILES	CC1(C(CC(CC1)=O)=O)C
Synonyms	4,4-Dimethyl-1,3-cyclohexanedione, 562-46-9, 4,4-dimethylcyclohexane-1,3-dione, 1,3-Cyclohexanedione, 4,4-dimethyl-, PLGPBTCNKJQJHQ-UHFFFAOYSA-N, 4,4-Dimethyl-1,3-cyclohexanedione, 98%, 4,4-dimethyl-cyclohexane-1,3-dione, ACMC-209lre, SCHEMBL992137, AC1L38C5, CTK5A4836, DTXSID10204739, 4,4-Dimethyl-1,3cyclohexanedione, 4,4dimethyl-1,3-cyclohexanedione, 4,4-dimethy 1,3-cyclohexanedione, ANW-32472, GEO-02812, MFCD00075224, 1,3-Cyclohexanedione,4,4-dimethyl-, AKOS015916456, ZINC100019159, 4,4-Dimethyl-1,3-cyclohexanedione #, AK-76487, SC-52762, TC-121217, D2681, FT-0617075, Z3773, K-9972, J-200062, J-640291, J-800295, I14-50270, N-Isopropyl-1,3-propanediamine, C8H12O2, C8-H12-O2, CID136360, ACN-043694,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.084g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	140.182g/mol
Monoisotopic Mass	140.084g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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