AG0036BB

874-23-7 | 2-Acetylcyclohexanone

AG0036BB

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CAS Number	874-23-7
Catalog Number	AG0036BB(AGN-PC-0WA5ZG)
Chemical Name	2-Acetylcyclohexanone
EC Number	212-858-5
IUPAC Name	2-acetylcyclohexan-1-one
InChI	InChI=1S/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h7H,2-5H2,1H3
InChI Key	OEKATORRSPXJHE-UHFFFAOYSA-N
MDL Number	MFCD00001633
Molecular Formula	C8H12O2
Molecular Weight	140.1797
NSC Number	7713
SMILES	O=C1CCCCC1C(=O)C
Synonyms	2-acetylcyclohexanone, 2-ACETYLCYCLOHEXANONE, 874-23-7, 2-Acetyl-1-cyclohexanone, Cyclohexanone, 2-acetyl-, 2-acetylcyclohexan-1-one, .alpha.-Acetylcyclohexanone, 2-ACETYL CYCLOHEXANONE, 2-acetyl-cyclohexanone, Cyclohexanone,2-acetyl-, 2-Acetylcyclohexanone, 97%, OEKATORRSPXJHE-UHFFFAOYSA-N, MFCD00001633, 1-acetyl-2-oxocyclohexane, alpha-Acetylcyclohexanone, Acetylcyclohexanone, acetyl cyclohexanone, NSC 7713, EINECS 212-858-5, ACMC-209qlm, AI3-19261, 2-acetyl-cyclohexan-1-one, DSSTox_CID_29324, DSSTox_RID_83440, DSSTox_GSID_49365, SCHEMBL63339, AC1L21N9, CHEMBL3187909, DTXSID0049365, CTK3J3370, NSC7713, CS-D1351, NSC-7713, Tox21_202874, ANW-38744, BBL027349, CA-955, SBB056190, STL264116, AKOS005206863, MCULE-4487262627, RP20617, RTR-027400, SC11832, VZ34486, KS-00000C79, NCGC00260420-01, AC-22529, AN-20567, BR-38319, CAS-874-23-7, SC-48877, SY039226, DB-076946, ST2416308, TL8005681, TR-027400, A0881, FT-0610974, ST50823683, W8968, MFCD00001633 (97%), M-4474, 27666-EP2269990A1, 27666-EP2298767A1, 27666-EP2314587A1, 27884-EP2287159A1, 27884-EP2314587A1, J-507711, I14-15925, I14-19931, I14-20852, 424823-02-9, C8H12O2, CID13400, Sid 22388674, C8-H12-O2, 2-Acetylcyclohexanone, 97% - 25G 25g, 125117-37-5,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.084g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	140.182g/mol
Monoisotopic Mass	140.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number