AG002NHB

23510-95-4 | Cyclohexanone, 4-(benzoyloxy)-

AG002NHB

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CAS Number	23510-95-4
Catalog Number	AG002NHB(AGN-PC-0JOGU9)
Chemical Name	Cyclohexanone, 4-(benzoyloxy)-
IUPAC Name	(4-oxocyclohexyl) benzoate
InChI	InChI=1S/C13H14O3/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChI Key	VFICJPDIBDJAGL-UHFFFAOYSA-N
MDL Number	MFCD00458687
Molecular Formula	C13H14O3
Molecular Weight	218.2485
NSC Number	51499
SMILES	C1C(=O)CCC(C1)OC(=O)c1ccccc1
Synonyms	4-Oxocyclohexyl benzoate, 4-(Benzoyloxy)cyclohexanone, 23510-95-4, 4-benzoyloxycyclohexanone, Cyclohexanone, 4-(benzoyloxy)-, (4-oxocyclohexyl) benzoate, VFICJPDIBDJAGL-UHFFFAOYSA-N, NSC51499, Cyclohexanone, 4-hydroxy-, benzoate, Cyclohexanone, benzoate, 4-benzoyloxy cyclohexanone, 4-Oxocyclohexyl benzoate #, AC1L69YB, AC1Q60YU, Cyclohexanone,4-(benzoyloxy)-, SCHEMBL1556598, CTK4F1626, DTXSID10287542, HMS1594I01, ZINC407932, ANW-58825, BBL001117, MFCD00458687, NSC-51499, STK366086, AKOS005443026, benzoic acid (4-oxo-cyclohexyl) ester, MCULE-7092185667, QC-3589, ACM23510954, AJ-22628, AB0031206, AB1007112, AX8217351, TC-147570, FT-0084714, FT-0650691, ST50450554, X4205, Z-2790, SR-01000277323, SR-01000277323-1, 4-Oxocyclohexylbenzoate; 4-Benzoyloxycyclohexan-1-one; Benzoicacid|4-Oxocyclohexan-1-yl ester, 4- cyclohexanone, 4-Oxocyclohexylbenzoate, C13H14O3, AR-1F6637, CID242677, 26794-58-1,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.094g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	218.252g/mol
Monoisotopic Mass	218.094g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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