AG00FAAC

6668-24-2 | 2-METHYL-1-PHENYL-BUTANE-1,3-DIONE

AG00FAAC

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CAS Number	6668-24-2
Catalog Number	AG00FAAC(AGN-PC-05IXSK)
Chemical Name	2-METHYL-1-PHENYL-BUTANE-1,3-DIONE
IUPAC Name	2-methyl-1-phenylbutane-1,3-dione
InChI	InChI=1S/C11H12O2/c1-8(9(2)12)11(13)10-6-4-3-5-7-10/h3-8H,1-2H3
InChI Key	IRNJRGVFXLVQEK-UHFFFAOYSA-N
MDL Number	MFCD09033549
Molecular Formula	C11H12O2
Molecular Weight	176.2118
SMILES	C(=O)(C(C(=O)C)C)c1ccccc1
Synonyms	2-methyl-1-phenylbutane-1,3-dione, 6668-24-2, 2-Methyl-1-phenyl-1,3-butanedione, 2-METHYL-1-PHENYL-BUTANE-1,3-DIONE, 1,3-Butanedione, 2-methyl-1-phenyl-, IRNJRGVFXLVQEK-UHFFFAOYSA-N, AK-36052, Methylbenzoylaceton, AC1LC4FD, AC1Q5ERH, SCHEMBL3274886, CTK5C5047, DTXSID30341019, 1-phenyl-2-methyl-1,3-butandione, 0244AC, FCH864628, MFCD09033549, AKOS006330022, ACN-052843, AM81198, 2-Methyl-1-phenyl-1,3-butanedione #, KS-00000N53, BC221441, DS-12823, AX8076707, DB-011064, TC-061473, FT-0711144, 3-Benzoyl-2-butanone, C11H12O2, AR-1E3381, CID569369, 67460-69-9,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.084g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.215g/mol
Monoisotopic Mass	176.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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

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