AG00394Z

17429-02-6 | 4-Hydroxy-4-methylcyclohexanone

AG00394Z

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CAS Number	17429-02-6
Catalog Number	AG00394Z(AGN-PC-0JKK4X)
Chemical Name	4-Hydroxy-4-methylcyclohexanone
IUPAC Name	4-hydroxy-4-methylcyclohexan-1-one
InChI	InChI=1S/C7H12O2/c1-7(9)4-2-6(8)3-5-7/h9H,2-5H2,1H3
InChI Key	MACNVPBGMHPCML-UHFFFAOYSA-N
MDL Number	MFCD13659404
Molecular Formula	C7H12O2
Molecular Weight	128.1690
SMILES	OC1(CCC(CC1)=O)C
Synonyms	4-Hydroxy-4-methylcyclohexanone, 17429-02-6, Cyclohexanone, 4-hydroxy-4-methyl-, 4-hydroxy-4-methylcyclohexan-1-one, 4-Methyl-4-hydroxycyclohexanone, 4-hydroxy-4-methyl-cyclohexanone, MACNVPBGMHPCML-UHFFFAOYSA-N, AC1L1FJS, SCHEMBL607485, DTXSID40169807, Cyclohexanone,4-hydroxy-4-methyl-, ZINC5447714, 9011AA, MFCD13659404, AKOS014316355, AJ-54126, AS-47438, CS-0091842, W-4549, Z2680629420, 75640-25-4, C7H12O2, CID28539, 4-HYDROCY-4-METHYLCYCLOHEXANONE,

Complexity	119
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.084g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	128.171g/mol
Monoisotopic Mass	128.084g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number