AG003K4F

7774-79-0 | 4-(4-Methylphenyl)-2-butanone

AG003K4F

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CAS Number	7774-79-0
Catalog Number	AG003K4F(AGN-PC-0LQUPE)
Chemical Name	4-(4-Methylphenyl)-2-butanone
EC Number	616-497-8
FEMA Number	3074
IUPAC Name	4-(4-methylphenyl)butan-2-one
InChI	InChI=1S/C11H14O/c1-9-3-6-11(7-4-9)8-5-10(2)12/h3-4,6-7H,5,8H2,1-2H3
InChI Key	BUIRDOGDCJQFDA-UHFFFAOYSA-N
MDL Number	MFCD00156655
Molecular Formula	C11H14O
Molecular Weight	162.2283
SMILES	CC(CCC1=CC=C(C)C=C1)=O
UNII	B98IK70Y98
Synonyms	7774-79-0, 4-(4-Methylphenyl)-2-butanone, 4-(p-Tolyl)butan-2-one, 4-(4-methylphenyl)butan-2-one, 2-Butanone, 4-(4-methylphenyl)-, 4-(p-Tolyl)-2-butanone, 4-(4-Tolyl)-2-butanone, UNII-B98IK70Y98, B98IK70Y98, FEMA No. 3074, Methylbenzylacetone, p-, 2-Butanone, 4-p-tolyl-, p-Methylbenzylacetone, 4-p-Tolyl-2-Butanone, AI3-20955, AC1NUYQ7, AC1Q1K5C, 4-(para-tolyl)-2-butanone, SCHEMBL363773, 1-(4-methylphenyl)butan-3-one, CTK6A0178, FEMA 3074, DTXSID00228363, BUIRDOGDCJQFDA-UHFFFAOYSA-N, ZINC9280616, 2186AC, MFCD00156655, AKOS000348624, MCULE-3886403881, KS-00000C53, TRA-0206962, AJ-59488, CJ-13602, CS-11470, SY022010, TC-307523, 4CH-000745, ST24043124, EN300-52483, Z-4660, MFCD00156655 (97+%), Z802671730, C11H14O, C11-H14-O, CID5463908, 156545-07-2,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.104g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	162.232g/mol
Monoisotopic Mass	162.104g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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