AG004PL8

85302-07-4 | 2-((Dimethylamino)methylene)cyclohexane-1,3-dione

AG004PL8

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CAS Number	85302-07-4
Catalog Number	AG004PL8(AGN-PC-0JQEFO)
Chemical Name	2-((Dimethylamino)methylene)cyclohexane-1,3-dione
IUPAC Name	2-(dimethylaminomethylidene)cyclohexane-1,3-dione
InChI	InChI=1S/C9H13NO2/c1-10(2)6-7-8(11)4-3-5-9(7)12/h6H,3-5H2,1-2H3
InChI Key	USUMAAZJCOVPIN-UHFFFAOYSA-N
MDL Number	MFCD00172118
Molecular Formula	C9H13NO2
Molecular Weight	167.2050
NSC Number	620164
SMILES	O=C1/C(C(CCC1)=O)=CN(C)C
Synonyms	85302-07-4, 2-[(Dimethylamino)methylene]-1,3-cyclohexanedione, 2-((Dimethylamino)methylene)cyclohexane-1,3-dione, 2-Dimethylaminomethylenecyclohexane-1,3-dione, 2-[(dimethylamino)methylidene]cyclohexane-1,3-dione, USUMAAZJCOVPIN-UHFFFAOYSA-N, 2-(dimethylaminomethylidene)cyclohexane-1,3-dione, 2-[(dimethylamino)methylene]cyclohexane-1,3-dione, 2-Dimethylaminomethylene-cyclohexane-1,3-dione, 2-((dimethylamino)methylene)-cyclohexane-1,3-dione, 2-[(dimethylamino)methylene]-cyclohexane-1,3-dione, NSC620164, AC1L7EGW, AC1Q3VVS, SCHEMBL955853, 1,3-Cyclohexanedione, 2-[(dimethylamino)methylene]-, CTK3E8002, DTXSID30326881, KS-000031VI, ZINC1389288, 3226AC, BBL012938, KM2310, MFCD00172118, SBB082874, STK790242, AKOS000674749, CD-1183, MCULE-7027593386, NSC-620164, RP09429, AJ-25483, AN-35692, DB-020275, TC-068762, FT-0685661, ST50336366, 2-(Dimethylaminomethylene)-1,3-cyclohexadione, 2-dimethylaminomethylene-1,3-cyclohexanedione, EN300-26458, 1D-002, 2-dimethylaminomethylidenecyclohexane-1,3-dione, 2-(dimethylaminomethylene)cyclohexane-1,3-dione, 2-(dimethylaminomethylene)-cyclohexane- 1,3-dione, 2-(dimethylaminomethylene)-cyclohexane-1,3-dione, 2-[(Dimethylamino)methylene]cyclohexane-1.3-dione, 302D074, Cyclohexane-1,3-dione, 2-dimethylaminomethylene-, 2-((Dimethylamino)-methylene)cyclohexane-1,3-dione, J-509276, 2-[(Dimethylamino)methylene]-1,3-cyclohexanedione #, F0797-0075, 2-Dimethylaminomethylenecyclohexane-1,3-dione, AldrichCPR, C9H13NO2, CID359353,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.095g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	167.208g/mol
Monoisotopic Mass	167.095g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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