AG00CAX2

41043-88-3 | ACETIC ACID 4-OXO-CYCLOHEXYL ESTER

AG00CAX2

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CAS Number	41043-88-3
Catalog Number	AG00CAX2(AGN-PC-0JSZN7)
Chemical Name	ACETIC ACID 4-OXO-CYCLOHEXYL ESTER
IUPAC Name	(4-oxocyclohexyl) acetate
InChI	InChI=1S/C8H12O3/c1-6(9)11-8-4-2-7(10)3-5-8/h8H,2-5H2,1H3
InChI Key	YBMRTOLIRJUOPL-UHFFFAOYSA-N
MDL Number	MFCD07779439
Molecular Formula	C8H12O3
Molecular Weight	156.1791
SMILES	CC(=O)OC1CCC(=O)CC1
Synonyms	4-Oxocyclohexyl acetate, 41043-88-3, (4-oxocyclohexyl) acetate, Acetic acid 4-oxo-cyclohexyl ester, 4-acetoxycyclohexanone, YBMRTOLIRJUOPL-UHFFFAOYSA-N, AK112287, 4-oxo-cyclohexyl acetate, 4-Oxocyclohexyl acetate #, AC1LBX82, AC1Q60YT, 4-(Acetyloxy)-cyclohexanone, Cyclohexanone,4-(acetyloxy)-, SCHEMBL1207769, CTK4I4192, KS-00000FKY, DTXSID70340581, Acetic acid,4-oxocyclohexyl ester, Acetic acid, 4-oxocyclohexyl ester, 5616AB, FCH857004, MFCD07779439, ZINC21994755, AKOS006286384, AC-5138, DS-5479, ACM41043883, AJ-79887, AN-11291, AX8112140, FT-0692569, ST24043967, 4-Oxocyclohexylacetate, C8H12O3, AR-1G4284, CID565869, ACETICACID4-OXO-CYCLOHEXYLESTER, 41287-97-2,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.079g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	156.181g/mol
Monoisotopic Mass	156.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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

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