AG003P5A

712-50-5 | Cyclohexyl phenyl ketone

AG003P5A

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CAS Number	712-50-5
Catalog Number	AG003P5A(AGN-PC-0JKATE)
Chemical Name	Cyclohexyl phenyl ketone
EC Number	211-923-5
IUPAC Name	cyclohexyl(phenyl)methanone
InChI	InChI=1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChI Key	BMFYCFSWWDXEPB-UHFFFAOYSA-N
MDL Number	MFCD00001467
Molecular Formula	C13H16O
Molecular Weight	188.2655
NSC Number	818
SMILES	O=C(C1CCCCC1)C1=CC=CC=C1
UNII	0NU53987V8
Synonyms	cyclohexylphenylketone, Cyclohexyl phenyl ketone, 712-50-5, Cyclohexyl(phenyl)methanone, Benzoylcyclohexane, Cyclohexylphenylketone, Benzoyl cyclohexane, Phenyl cyclohexyl ketone, Methanone, cyclohexylphenyl-, Cyclohexyl-phenyl-methanone, USAF KF-3, Cyclohexylphenyl ketone, KETONE, CYCLOHEXYL PHENYL, UNII-0NU53987V8, Benzophenone, 1,2,3,4,5,6-hexahydro-, NSC 818, EINECS 211-923-5, BRN 2046712, AI3-11009, BMFYCFSWWDXEPB-UHFFFAOYSA-N, MFCD00001467, 0NU53987V8, cyclohexyl-phenylmethanone, AC1Q5EXD, ACMC-1BFE4, WLN: L6TJ AVR, EC 211-923-5, AC1L20GS, DSSTox_CID_28156, DSSTox_RID_82718, DSSTox_GSID_48182, SCHEMBL33443, 4-07-00-01062 (Beilstein Handbook Reference), Cyclohexyl(phenyl)methanone #, Cyclohexyl phenyl ketone, 98%, NSC818, CHEMBL3188506, DTXSID5048182, BMFYCFSWWDXEPB-UHFFFAOYSA-, KS-00000UKO, NSC-818, ACT10111, ZINC1433380, Tox21_303653, ANW-75590, BBL027342, SBB007832, STL373582, AKOS000120281, Benzophenone,2,3,4,5,6-hexahydro-, FR-0418, MCULE-4701094340, NE10102, NCGC00249618-01, NCGC00257313-01, AC-10377, AJ-25930, AN-47384, CAS-712-50-5, CJ-23407, LS-87121, AB0007298, TC-164335, TL8005007, TR-023462, FT-0624211, ST24030283, ST50406627, C24352, A837127, I01-6732, W-104529, Z1250100691, InChI=1/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2, BENZOPHENONE, C13H16O, CID12837, C13-H16-O, c1345, ACN-037833, C007195, 119-61-9,

Complexity	185
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	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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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