AG0032R1

823-76-7 | 1-Cyclohexylethanone

AG0032R1

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CAS Number	823-76-7
Catalog Number	AG0032R1(AGN-PC-0JKB1I)
Chemical Name	1-Cyclohexylethanone
EC Number	212-517-0
IUPAC Name	1-cyclohexylethanone
InChI	InChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChI Key	RIFKADJTWUGDOV-UHFFFAOYSA-N
MDL Number	MFCD00040418
Molecular Formula	C8H14O
Molecular Weight	126.1962
NSC Number	16249
SMILES	C1(CCCCC1)C(C)=O
UNII	U53404H6B8
Synonyms	1-Cyclohexylethanone, 823-76-7, 1-Cyclohexylethan-1-one, Cyclohexyl methyl ketone, Acetylcyclohexane, Ethanone, 1-cyclohexyl-, Cyclohexylethanone, Methyl cyclohexyl ketone, 1-Acetylcyclohexane, Cyclohexane, acetyl-, Acetophenone, hexahydro-, Ketone, cyclohexyl methyl, 1-cyclohexyl-ethanone, NSC 16249, UNII-U53404H6B8, Cyclohexylmethyl ketone, EINECS 212-517-0, MFCD00040418, CYCLOHEXYLMETHYLKETONE, RIFKADJTWUGDOV-UHFFFAOYSA-N, U53404H6B8, acetyl cyclohexane, Hexahydroacetophenone, ACMC-20aovh, methylcyclohexyl ketone, 1-Cyclohexylethanone #, 1-cyclohexyl-1-ethanone, c-C6H11COCH3, SCHEMBL28019, AC1L219I, SCHEMBL12891744, CTK3E8247, DTXSID40231674, Ethanone, 1-cyclohexyl- (9CI), Ketone, cyclohexyl methyl (8CI), KS-000004PO, NSC16249, ZINC1733927, CC0052, NSC-16249, AKOS005206946, CS-W007597, PS-4108, RP19714, SB12754, TRA0043639, AJ-31299, AK110444, AN-16402, CJ-29500, LS-67291, SC-28527, AB0121779, TC-171908, TR-025760, AM20070516, FT-0624207, ST24037959, A18913, Z-8508, A840312, I14-4527, J-520167, F0001-2108, ACETOPHENONE, 2-cyclohexylacetaldehyde, 1-methylcyclohexanecarboxaldehyde, Cyclohexyl methyl ketone, 95% 5g, C8-H14-O, CID13207, (4-Fluorophenyl)hydrazine monohydrochloride, 5664-21-1, 98-86-2,

Complexity	101
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.104g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	126.199g/mol
Monoisotopic Mass	126.104g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code	\N

Certificate of Analysis

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