AG0068S1

69697-46-7 | 4-Isopropoxycyclohexanone

AG0068S1

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CAS Number	69697-46-7
Catalog Number	AG0068S1(AGN-PC-0WAMVF)
Chemical Name	4-Isopropoxycyclohexanone
IUPAC Name	4-propan-2-yloxycyclohexan-1-one
InChI	InChI=1S/C9H16O2/c1-7(2)11-9-5-3-8(10)4-6-9/h7,9H,3-6H2,1-2H3
InChI Key	QVHMVEHDBXFYCA-UHFFFAOYSA-N
MDL Number	MFCD16658578
Molecular Formula	C9H16O2
Molecular Weight	156.2221
SMILES	O=C1CCC(OC(C)C)CC1
Synonyms	4-Isopropoxycyclohexanone, 69697-46-7, 4-(propan-2-yloxy)cyclohexan-1-one, 4-isopropoxy-cyclohexanone, SCHEMBL602552, CTK8B6388, DTXSID20593545, QVHMVEHDBXFYCA-UHFFFAOYSA-N, 4-propan-2-yloxycyclohexan-1-one, KS-00000Q0S, 0776AC, 4-[(1-Methylethyl)oxy]cyclohexanone, ANW-53382, Cyclohexanone, 4-(1-methylethoxy)-, MFCD16658578, ZINC77032141, AKOS015999516, 4-[(Propan-2-yl)oxy]cyclohexan-1-one, AK-93525, AJ-122571, ST2411487, TC-142127, C9H16O2, CS-4114,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.115g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	156.225g/mol
Monoisotopic Mass	156.115g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number