AG0037E2

4883-60-7 | 2-Cyclohexen-1-one, 2-hydroxy-3,5,5-trimethyl-

AG0037E2

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CAS Number	4883-60-7
Catalog Number	AG0037E2(AGN-PC-0JSR04)
Chemical Name	2-Cyclohexen-1-one, 2-hydroxy-3,5,5-trimethyl-
FEMA Number	3459
IUPAC Name	2-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
InChI	InChI=1S/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h11H,4-5H2,1-3H3
InChI Key	DWGZTTFGUFHAJX-UHFFFAOYSA-N
MDL Number	MFCD02181023
Molecular Formula	C9H14O2
Molecular Weight	154.2063
SMILES	CC1=C(O)C(=O)CC(C1)(C)C
UNII	5RIP7E0O7J
Synonyms	4883-60-7, 2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one, 2-Cyclohexen-1-one, 2-hydroxy-3,5,5-trimethyl-, 2-Hydroxyisophorone, 2-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one, UNII-5RIP7E0O7J, 2-Hydroxy-3,5,5-trimethyl-2-cyclohexenone, 5RIP7E0O7J, Enol-3,5,5-Trimethyl-1,2-cyclohexanedione, FEMA No. 3459, PubChem15735, 2-Hydroxy-3,5,5-trimethyl-cyclohex-2-enone, ACMC-209ke5, AC1LB49R, KSC237C8H, SCHEMBL856999, CTK1D7183, DTXSID30197614, DWGZTTFGUFHAJX-UHFFFAOYSA-N, KS-000010JE, ANW-30699, ZINC24718305, AKOS004909655, AJ-81943, CJ-17414, ST2404605, TC-119444, 1,5,5-Trimethyl-2-hydroxycyclohexene-3-one, FT-0696519, (4r)-hydroxy-3,5,5-trimethylcyclohex-2-enone, 2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one #, 3,5,5-Trimethylcyclohexane-1,2-dione, AldrichCPR, 2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one, 9CI, 2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one, analytical reference material, InChI=1/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h11H,4-5H2,1-3H, Benzil-related compound, 52, 3,5,5-trimethylcyclohexane-1,2-dione, 3,5,5-Trimethyl-1,2-cyclohexanedione, C9-H14-O2, CID551084, MFCD02181023, T2723, 57696-89-6,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.099g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	154.209g/mol
Monoisotopic Mass	154.099g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number