AG003FM6

52890-52-5 | Phenyl(2,4,5-trimethylphenyl)methanone

AG003FM6

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CAS Number	52890-52-5
Catalog Number	AG003FM6(AGN-PC-002YS6)
Chemical Name	Phenyl(2,4,5-trimethylphenyl)methanone
IUPAC Name	phenyl-(2,4,5-trimethylphenyl)methanone
InChI	InChI=1S/C16H16O/c1-11-9-13(3)15(10-12(11)2)16(17)14-7-5-4-6-8-14/h4-10H,1-3H3
InChI Key	FTPZYWUJDVZEIE-UHFFFAOYSA-N
MDL Number	MFCD08276423
Molecular Formula	C16H16O
Molecular Weight	224.2976
SMILES	O=C(C1=CC=CC=C1)C2=CC(C)=C(C)C=C2C
Synonyms	2,4,5-Trimethylbenzophenone, 52890-52-5, Phenyl(2,4,5-trimethylphenyl)methanone, ACMC-209l2k, 2.4.5-Trimethylbenzophenon, SCHEMBL6459498, CTK4J6684, DTXSID40565229, FTPZYWUJDVZEIE-UHFFFAOYSA-N, ANW-31578, MFCD08276423, ZINC34406703, AKOS013152964, ACM52890525, KS-0000151S, phenyl-(2,4,5-trimethylphenyl)methanone, AC-27941, BC4526327, TC-120323, T2062,

Complexity	265
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.12g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	224.303g/mol
Monoisotopic Mass	224.12g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

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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