AG0076YV

40503-90-0 | 4-(4-Methylphenyl)cyclohexanone

AG0076YV

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CAS Number	40503-90-0
Catalog Number	AG0076YV(AGN-PC-001RZ5)
Chemical Name	4-(4-Methylphenyl)cyclohexanone
EC Number	609-837-1
IUPAC Name	4-(4-methylphenyl)cyclohexan-1-one
InChI	InChI=1S/C13H16O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-5,12H,6-9H2,1H3
InChI Key	XDHMORMQXOUOHT-UHFFFAOYSA-N
MDL Number	MFCD14584461
Molecular Formula	C13H16O
Molecular Weight	188.2655
SMILES	CC1=CC=C(C=C1)C1CCC(=O)CC1
Synonyms	4-(4-Methylphenyl)cyclohexanone, 40503-90-0, 4-(p-tolyl)cyclohexanone, 4-(p-Tolyl)cyclohexan-1-one, 4-(4-methylphenyl)-Cyclohexanone, 4-p-Tolyl cyclohexanone, SCHEMBL3533675, CTK8C2861, DTXSID50561550, 4-(4-Methylphenyl)cyclohexan-1-one, ANW-69156, MFCD14584461, ZINC34317568, AKOS015917451, AJ-87941, AK-40304, AX8160490, DB-070023, TC-157901, 4CH-024183, FT-0725750, ST24042965, X6602, 503M900, I14-9664, C13H16O, T3418,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.12g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.27g/mol
Monoisotopic Mass	188.12g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number