AG003CUV

6450-57-3 | 1-(2-MESITYLENE)-1,3-BUTANEDIONE

AG003CUV

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CAS Number	6450-57-3
Catalog Number	AG003CUV(AGN-PC-0JQJ3N)
Chemical Name	1-(2-MESITYLENE)-1,3-BUTANEDIONE
IUPAC Name	1-(2,4,6-trimethylphenyl)butane-1,3-dione
InChI	InChI=1S/C13H16O2/c1-8-5-9(2)13(10(3)6-8)12(15)7-11(4)14/h5-6H,7H2,1-4H3
InChI Key	MBZZDUHWYNESIY-UHFFFAOYSA-N
MDL Number	MFCD00477603
Molecular Formula	C13H16O2
Molecular Weight	204.2649
SMILES	CC(=O)CC(=O)c1c(C)cc(C)cc1C
Synonyms	1-mesitylbutane-1,3-dione, 6450-57-3, 1-(2-Mesitylene)-1,3-butanedione, 1-(2,4,6-trimethylphenyl)butane-1,3-dione, AC1Q5CZY, AC1L7U7Y, SCHEMBL4320007, CTK5J9946, DTXSID60327164, (2,4,6-Trimethylbenzoyl)acetone, 7344AE, ANW-41530, MFCD00477603, SBB055435, AKOS005202438, ZINC100028020, MCULE-7716980719, VZ20868, FT-0636153, M1272, ST50949962, 1,3-Butanedione,1-(2,4,6-trimethylphenyl)-, 1-(2,4,6-Trimethylbenzene)-1,3-butanedione, 1-(2,4,6-trimethyl-phenyl)-butane-1,3-dione, A834789, SR-01000268689, SR-01000268689-1, 1- -1,3-BUTANEDIONE, C13H16O2, AR-1C4177, CID367102, 65113-27-1,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.115g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	204.269g/mol
Monoisotopic Mass	204.115g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number