AG0035PS

151772-66-6 | trans-4'-Methyl[1,1'-bicyclohexyl]-4-one

AG0035PS

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CAS Number	151772-66-6
Catalog Number	AG0035PS(AGN-PC-0Q6680)
Chemical Name	trans-4'-Methyl[1,1'-bicyclohexyl]-4-one
EC Number	604-815-8
IUPAC Name	4-(4-methylcyclohexyl)cyclohexan-1-one
InChI	InChI=1S/C13H22O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h10-12H,2-9H2,1H3
InChI Key	RHUNWKYRWMYYMP-UHFFFAOYSA-N
MDL Number	MFCD23105681
Molecular Formula	C13H22O
Molecular Weight	194.3132
SMILES	O=C1CCC([C@H]2CC[C@H](C)CC2)CC1
Synonyms	151772-66-6, 4-(trans-4-methylcyclohexyl)cyclohexanone, trans-4'-Methyl-[1,1'-bi(cyclohexan)]-4-one, 4'-Methylbi(cyclohexyl)-4-one, trans-4'-Methyl[1,1'-bicyclohexyl]-4-one, Trans-4-(Trans-4-methylcyclohexyl)cyclohexylanone, 914221-47-9, PubChem2507, SCHEMBL10861500, SCHEMBL10861505, DTXSID60603899, RHUNWKYRWMYYMP-UHFFFAOYSA-N, 4-(4-methylcyclohexyl)cyclohexanone, KS-000002KZ, MFCD23105681, ZINC21989190, AKOS006288119, AKOS030228380, ZINC263584382, RP25327, 4'-Methyl[1,1'-bi(cyclohexane)]-4-one, J-513879, 4-(4-methylcyclohexyl)cyclohexan-1-one,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.167g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	194.318g/mol
Monoisotopic Mass	194.167g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

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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