AG0033DB

39207-65-3 | 2-Isobutyrylcyclohexanone

AG0033DB

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CAS Number	39207-65-3
Catalog Number	AG0033DB(AGN-PC-009QFJ)
Chemical Name	2-Isobutyrylcyclohexanone
IUPAC Name	2-(2-methylpropanoyl)cyclohexan-1-one
InChI	InChI=1S/C10H16O2/c1-7(2)10(12)8-5-3-4-6-9(8)11/h7-8H,3-6H2,1-2H3
InChI Key	PFOYYSGBGILOQZ-UHFFFAOYSA-N
MDL Number	MFCD00466185
Molecular Formula	C10H16O2
Molecular Weight	168.2328
SMILES	O=C1CCCCC1C(=O)C(C)C
Synonyms	2-Isobutyrylcyclohexanone, 39207-65-3, 2-(2-Methyl-1-oxopropyl)cyclohexanone, 2-(2-methylpropanoyl)cyclohexan-1-one, Cyclohexanone, 2-(2-methyl-1-oxopropyl)-, 2-Isobutyryl-cyclohexanone, PubChem12112, ACMC-1ADEI, 2-isobutyryl cyclohexanone, SCHEMBL900888, 2-Isobutyrylcyclohexanone, 96%, CTK1C2117, DTXSID90466818, EBD4162, PFOYYSGBGILOQZ-UHFFFAOYSA-N, 2-(2-methylpropanoyl)cyclohexanone, STR08161, ANW-53988, MFCD00466185, AKOS012624058, CS-W007715, SC11822, TRA0169659, VZ34715, AK-98135, BP-21288, R699, SC-84386, AB1003367, DB-024412, ST2410064, TC-070654, 4CH-016589, A6569, FT-0604235, 2-Isobutyrylcyclohexanone, 96% (~96% enol form), I14-3251, C10H16O2, CID11469301,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.115g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.236g/mol
Monoisotopic Mass	168.115g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number